1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C25H29N5O4 — CID 55986161

IUPAC1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C25H29N5O4/c26-24(33)21-6-2-12-29(21)16-17-4-1-5-19(14-17)28-22(31)15-27-25(34)18-8-10-20(11-9-18)30-13-3-7-23(30)32/h1,4-5,8-11,14,21H,2-3,6-7,12-13,15-16H2,(H2,26,33)(H,27,34)(H,28,31)
InChIKeyUYCKSONALNOVQD-UHFFFAOYSA-N
MW463.54 g/mol
LogP1.63
Rot. Bonds8

About 1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55986161) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID55986161
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C25H29N5O4/c26-24(33)21-6-2-12-29(21)16-17-4-1-5-19(14-17)28-22(31)15-27-25(34)18-8-10-20(11-9-18)30-13-3-7-23(30)32/h1,4-5,8-11,14,21H,2-3,6-7,12-13,15-16H2,(H2,26,33)(H,27,34)(H,28,31)
InChIKeyUYCKSONALNOVQD-UHFFFAOYSA-N
XLogP1.63
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46584847
N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918
N-[3-[[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55954128
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide
CID 26313419
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
1-[[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56540164
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60535609
N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38824667
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400
1-[[3-[[4-(difluoromethylsulfanyl)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560118

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 55986161) is 1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of 1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is UYCKSONALNOVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c26-24(33)21-6-2-12-29(21)16-17-4-1-5-19(14-17)28-22(31)15-27-25(34)18-8-10-20(11-9-18)30-13-3-7-23(30)32/h1,4-5,8-11,14,21H,2-3,6-7,12-13,15-16H2,(H2,26,33)(H,27,34)(H,28,31).
What are the key properties of 1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55986161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).