tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate

C23H29ClN4O6 — CID 151599876

IUPACtert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)c(=O)n1CCO
InChIInChI=1S/C23H29ClN4O6/c1-23(2,3)34-22(33)26-11-10-25-20(31)18-9-8-17(21(32)28(18)12-13-29)19(30)27-14-15-4-6-16(24)7-5-15/h4-9,29H,10-14H2,1-3H3,(H,25,31)(H,26,33)(H,27,30)
InChIKeyQKGJAUQEYRAUNH-UHFFFAOYSA-N
MW492.96 g/mol
LogP1.68
Rot. Bonds9

About tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate (PubChem CID 151599876) has the molecular formula C23H29ClN4O6 and a molecular weight of 492.96 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate
PubChem CID151599876
Molecular FormulaC23H29ClN4O6
Molecular Weight492.96 g/mol
Exact Mass492.18
IUPAC Nametert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)c(=O)n1CCO
InChIInChI=1S/C23H29ClN4O6/c1-23(2,3)34-22(33)26-11-10-25-20(31)18-9-8-17(21(32)28(18)12-13-29)19(30)27-14-15-4-6-16(24)7-5-15/h4-9,29H,10-14H2,1-3H3,(H,25,31)(H,26,33)(H,27,30)
InChIKeyQKGJAUQEYRAUNH-UHFFFAOYSA-N
XLogP1.68
TPSA138.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate with MolForge

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Related Compounds

5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide
CID 175177057
ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 146442037
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[2-[2-(4-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864604
tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate
CID 118135944
tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate
CID 53407073
tert-butyl N-(2-hydroxyethyl)carbamate;1-chloro-4-methylbenzene
CID 145267915
tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252617
N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(2-methoxyethylamino)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118135932
tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539735
tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate
CID 59362456
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate (CID 151599876) is tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)c(=O)n1CCO.
What is the InChIKey of tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate?
The InChIKey is QKGJAUQEYRAUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O6/c1-23(2,3)34-22(33)26-11-10-25-20(31)18-9-8-17(21(32)28(18)12-13-29)19(30)27-14-15-4-6-16(24)7-5-15/h4-9,29H,10-14H2,1-3H3,(H,25,31)(H,26,33)(H,27,30).
What are the key properties of tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate has a molecular weight of 492.96 g/mol, XLogP of 1.68, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 151599876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).