N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide

C27H28N4O3 — CID 55957158

IUPACN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)c3ccc(N4CCCCC4=O)cc3)c2)c1
InChIInChI=1S/C27H28N4O3/c1-19-6-4-8-22(16-19)29-27(34)30-23-9-5-7-20(17-23)18-28-26(33)21-11-13-24(14-12-21)31-15-3-2-10-25(31)32/h4-9,11-14,16-17H,2-3,10,15,18H2,1H3,(H,28,33)(H2,29,30,34)
InChIKeyNZILWBFLKZMAJP-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.09
Rot. Bonds6

About N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide

N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 55957158) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID55957158
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)c3ccc(N4CCCCC4=O)cc3)c2)c1
InChIInChI=1S/C27H28N4O3/c1-19-6-4-8-22(16-19)29-27(34)30-23-9-5-7-20(17-23)18-28-26(33)21-11-13-24(14-12-21)31-15-3-2-10-25(31)32/h4-9,11-14,16-17H,2-3,10,15,18H2,1H3,(H,28,33)(H2,29,30,34)
InChIKeyNZILWBFLKZMAJP-UHFFFAOYSA-N
XLogP5.09
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60535609
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400
N-[3-[[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55954128
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
2-[(3-methylphenyl)methyl]-3-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]propanoic acid
CID 119242843
N-[3-(methoxymethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 32637877
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 75414586

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide (CID 55957158) is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide is Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3ccc(N4CCCCC4=O)cc3)c2)c1.
What is the InChIKey of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is NZILWBFLKZMAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-19-6-4-8-22(16-19)29-27(34)30-23-9-5-7-20(17-23)18-28-26(33)21-11-13-24(14-12-21)31-15-3-2-10-25(31)32/h4-9,11-14,16-17H,2-3,10,15,18H2,1H3,(H,28,33)(H2,29,30,34).
What are the key properties of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 456.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 55957158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).