3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide

C19H27N3O2 — CID 98727874

IUPAC3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC[C@H](C)N2CCCC2)c1
InChIInChI=1S/C19H27N3O2/c1-13-10-17(13)19(24)21-16-7-5-6-15(11-16)18(23)20-12-14(2)22-8-3-4-9-22/h5-7,11,13-14,17H,3-4,8-10,12H2,1-2H3,(H,20,23)(H,21,24)/t13-,14+,17-/m1/s1
InChIKeyJZFZPKPGWUGQBW-JKIFEVAISA-N
MW329.44 g/mol
LogP2.50
Rot. Bonds6

About 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide

3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide (PubChem CID 98727874) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide.

Molecular Properties

Compound Name3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
PubChem CID98727874
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC[C@H](C)N2CCCC2)c1
InChIInChI=1S/C19H27N3O2/c1-13-10-17(13)19(24)21-16-7-5-6-15(11-16)18(23)20-12-14(2)22-8-3-4-9-22/h5-7,11,13-14,17H,3-4,8-10,12H2,1-2H3,(H,20,23)(H,21,24)/t13-,14+,17-/m1/s1
InChIKeyJZFZPKPGWUGQBW-JKIFEVAISA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46429981
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 111480659
3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 94184057
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651288

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide?
The IUPAC name of 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide (CID 98727874) is 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide.
What is the SMILES notation for 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide?
The canonical SMILES for 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide is C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC[C@H](C)N2CCCC2)c1.
What is the InChIKey of 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide?
The InChIKey is JZFZPKPGWUGQBW-JKIFEVAISA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-10-17(13)19(24)21-16-7-5-6-15(11-16)18(23)20-12-14(2)22-8-3-4-9-22/h5-7,11,13-14,17H,3-4,8-10,12H2,1-2H3,(H,20,23)(H,21,24)/t13-,14+,17-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide?
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide has a molecular weight of 329.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide is sourced from PubChem (CID 98727874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).