N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide

C110H115N9O20 — CID 161166025

IUPACN-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide
SMILESCC(=O)/C=C/C(=O)Cc1ccc(CN(CCO)C(=O)c2cccc3cccnc23)cc1.CC(=O)C(=O)Cc1ccc(CN(CCO)C(=O)c2ccccc2)cc1.CC(=O)NCC(=O)Cc1ccc(CN(CCO)C(=O)c2ccccc2)cc1.CCC(=O)Cc1ccc(CN(CCO)C(=O)c2cccc3cccnc23)cc1.O=C(/C=C/C(=O)NO)Cc1ccc(CN(CCO)C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4.C23H24N2O3.C21H22N2O5.C21H24N2O4.C20H21NO4/c1-18(29)7-12-22(30)16-19-8-10-20(11-9-19)17-27(14-15-28)25(31)23-6-2-4-21-5-3-13-26-24(21)23;1-2-20(27)15-17-8-10-18(11-9-17)16-25(13-14-26)23(28)21-7-3-5-19-6-4-12-24-22(19)21;24-13-12-23(21(27)18-4-2-1-3-5-18)15-17-8-6-16(7-9-17)14-19(25)10-11-20(26)22-28;1-16(25)22-14-20(26)13-17-7-9-18(10-8-17)15-23(11-12-24)21(27)19-5-3-2-4-6-19;1-15(23)19(24)13-16-7-9-17(10-8-16)14-21(11-12-22)20(25)18-5-3-2-4-6-18/h2-13,28H,14-17H2,1H3;3-12,26H,2,13-16H2,1H3;1-11,24,28H,12-15H2,(H,22,26);2-10,24H,11-15H2,1H3,(H,22,25);2-10,22H,11-14H2,1H3/b12-7+;;11-10+;;
InChIKeyUQNWRBVXFOCLKK-XJEAQPCCSA-N
MW1883.17 g/mol
LogP11.60
Rot. Bonds43

About N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide

N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide (PubChem CID 161166025) has the molecular formula C110H115N9O20 and a molecular weight of 1883.17 g/mol. Its IUPAC name is N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide
PubChem CID161166025
Molecular FormulaC110H115N9O20
Molecular Weight1883.17 g/mol
Exact Mass1881.83
IUPAC NameN-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide
SMILESCC(=O)/C=C/C(=O)Cc1ccc(CN(CCO)C(=O)c2cccc3cccnc23)cc1.CC(=O)C(=O)Cc1ccc(CN(CCO)C(=O)c2ccccc2)cc1.CC(=O)NCC(=O)Cc1ccc(CN(CCO)C(=O)c2ccccc2)cc1.CCC(=O)Cc1ccc(CN(CCO)C(=O)c2cccc3cccnc23)cc1.O=C(/C=C/C(=O)NO)Cc1ccc(CN(CCO)C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4.C23H24N2O3.C21H22N2O5.C21H24N2O4.C20H21NO4/c1-18(29)7-12-22(30)16-19-8-10-20(11-9-19)17-27(14-15-28)25(31)23-6-2-4-21-5-3-13-26-24(21)23;1-2-20(27)15-17-8-10-18(11-9-17)16-25(13-14-26)23(28)21-7-3-5-19-6-4-12-24-22(19)21;24-13-12-23(21(27)18-4-2-1-3-5-18)15-17-8-6-16(7-9-17)14-19(25)10-11-20(26)22-28;1-16(25)22-14-20(26)13-17-7-9-18(10-8-17)15-23(11-12-24)21(27)19-5-3-2-4-6-19;1-15(23)19(24)13-16-7-9-17(10-8-16)14-21(11-12-22)20(25)18-5-3-2-4-6-18/h2-13,28H,14-17H2,1H3;3-12,26H,2,13-16H2,1H3;1-11,24,28H,12-15H2,(H,22,26);2-10,24H,11-15H2,1H3,(H,22,25);2-10,22H,11-14H2,1H3/b12-7+;;11-10+;;
InChIKeyUQNWRBVXFOCLKK-XJEAQPCCSA-N
XLogP11.60
TPSA426.40 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds43
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001883.17
LogP ≤ 511.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide with MolForge

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Related Compounds

N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide
CID 160924551
N-[4-[[benzoyl(2-hydroxyethyl)amino]methyl]phenyl]-N'-hydroxybut-2-enediamide
CID 78097501
(E)-N-[4-[[benzoyl(2-hydroxyethyl)amino]methyl]phenyl]-N'-hydroxybut-2-enediamide
CID 71523510
4-(acetamidomethyl)-N-benzyl-N-(2-hydroxyethyl)benzamide
CID 110880403
N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]quinoline-8-carboxamide
CID 66788632
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068839
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-(2-bromoethyl)-N-propylquinoline-8-carboxamide
CID 80660904
N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
CID 9205470
2-phenyl-1-quinolin-8-ylethanone
CID 10999362

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide (CID 161166025) is N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide is CC(=O)/C=C/C(=O)Cc1ccc(CN(CCO)C(=O)c2cccc3cccnc23)cc1.CC(=O)C(=O)Cc1ccc(CN(CCO)C(=O)c2ccccc2)cc1.CC(=O)NCC(=O)Cc1ccc(CN(CCO)C(=O)c2ccccc2)cc1.CCC(=O)Cc1ccc(CN(CCO)C(=O)c2cccc3cccnc23)cc1.O=C(/C=C/C(=O)NO)Cc1ccc(CN(CCO)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide?
The InChIKey is UQNWRBVXFOCLKK-XJEAQPCCSA-N. The full InChI is InChI=1S/C25H24N2O4.C23H24N2O3.C21H22N2O5.C21H24N2O4.C20H21NO4/c1-18(29)7-12-22(30)16-19-8-10-20(11-9-19)17-27(14-15-28)25(31)23-6-2-4-21-5-3-13-26-24(21)23;1-2-20(27)15-17-8-10-18(11-9-17)16-25(13-14-26)23(28)21-7-3-5-19-6-4-12-24-22(19)21;24-13-12-23(21(27)18-4-2-1-3-5-18)15-17-8-6-16(7-9-17)14-19(25)10-11-20(26)22-28;1-16(25)22-14-20(26)13-17-7-9-18(10-8-17)15-23(11-12-24)21(27)19-5-3-2-4-6-19;1-15(23)19(24)13-16-7-9-17(10-8-16)14-21(11-12-22)20(25)18-5-3-2-4-6-18/h2-13,28H,14-17H2,1H3;3-12,26H,2,13-16H2,1H3;1-11,24,28H,12-15H2,(H,22,26);2-10,24H,11-15H2,1H3,(H,22,25);2-10,22H,11-14H2,1H3/b12-7+;;11-10+;;.
What are the key properties of N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide?
N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide has a molecular weight of 1883.17 g/mol, XLogP of 11.60, 43 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-acetamido-2-oxopropyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-(2,3-dioxobutyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-[[4-[(E)-2,5-dioxohex-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)quinoline-8-carboxamide;N-[[4-[(E)-5-(hydroxyamino)-2,5-dioxopent-3-enyl]phenyl]methyl]-N-(2-hydroxyethyl)benzamide;N-(2-hydroxyethyl)-N-[[4-(2-oxobutyl)phenyl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 161166025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).