3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide

C20H24N4O2 — CID 136525958

IUPAC3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide
SMILESNC(=O)c1cccc(NC(=O)NCC2CCCN2Cc2ccccc2)c1
InChIInChI=1S/C20H24N4O2/c21-19(25)16-8-4-9-17(12-16)23-20(26)22-13-18-10-5-11-24(18)14-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14H2,(H2,21,25)(H2,22,23,26)
InChIKeyMCUJPHQHVWRUIZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.57
Rot. Bonds6

About 3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide

3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide (PubChem CID 136525958) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide.

Molecular Properties

Compound Name3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide
PubChem CID136525958
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide
SMILESNC(=O)c1cccc(NC(=O)NCC2CCCN2Cc2ccccc2)c1
InChIInChI=1S/C20H24N4O2/c21-19(25)16-8-4-9-17(12-16)23-20(26)22-13-18-10-5-11-24(18)14-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14H2,(H2,21,25)(H2,22,23,26)
InChIKeyMCUJPHQHVWRUIZ-UHFFFAOYSA-N
XLogP2.57
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381990
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
CID 119928553
1-(3-acetylphenyl)-3-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]urea
CID 95155114
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
tert-butyl N-[[(2S)-1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 94375785
N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide
CID 166207297
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460
methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
CID 60595175
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 111336713
3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119123950

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide?
The IUPAC name of 3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide (CID 136525958) is 3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide.
What is the SMILES notation for 3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide?
The canonical SMILES for 3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide is NC(=O)c1cccc(NC(=O)NCC2CCCN2Cc2ccccc2)c1.
What is the InChIKey of 3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide?
The InChIKey is MCUJPHQHVWRUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c21-19(25)16-8-4-9-17(12-16)23-20(26)22-13-18-10-5-11-24(18)14-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14H2,(H2,21,25)(H2,22,23,26).
What are the key properties of 3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide?
3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide has a molecular weight of 352.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide is sourced from PubChem (CID 136525958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).