3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide

C20H24N4O2 — CID 167931062

IUPAC3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide
SMILESCN(Cc1ccc(C(=O)NC2CCN(C(N)=O)C2)cc1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-23(18-5-3-2-4-6-18)13-15-7-9-16(10-8-15)19(25)22-17-11-12-24(14-17)20(21)26/h2-10,17H,11-14H2,1H3,(H2,21,26)(H,22,25)
InChIKeyLRYDOWJGTNUQBB-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.21
Rot. Bonds5

About 3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide

3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide (PubChem CID 167931062) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide
PubChem CID167931062
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide
SMILESCN(Cc1ccc(C(=O)NC2CCN(C(N)=O)C2)cc1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-23(18-5-3-2-4-6-18)13-15-7-9-16(10-8-15)19(25)22-17-11-12-24(14-17)20(21)26/h2-10,17H,11-14H2,1H3,(H2,21,26)(H,22,25)
InChIKeyLRYDOWJGTNUQBB-UHFFFAOYSA-N
XLogP2.21
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 18452994
3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174193075
N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide
CID 97333048
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174192999
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 91641898
(3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 99807958
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 31542226
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide
CID 123463757
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide (CID 167931062) is 3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide is CN(Cc1ccc(C(=O)NC2CCN(C(N)=O)C2)cc1)c1ccccc1.
What is the InChIKey of 3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide?
The InChIKey is LRYDOWJGTNUQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23(18-5-3-2-4-6-18)13-15-7-9-16(10-8-15)19(25)22-17-11-12-24(14-17)20(21)26/h2-10,17H,11-14H2,1H3,(H2,21,26)(H,22,25).
What are the key properties of 3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide?
3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 167931062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).