2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide

C21H32N4O2 — CID 119872875

IUPAC2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCCC(NC(=O)CC1CCCN1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C21H32N4O2/c1-2-7-19(24-20(26)15-16-9-6-11-22-16)21(27)23-17-8-5-10-18(14-17)25-12-3-4-13-25/h5,8,10,14,16,19,22H,2-4,6-7,9,11-13,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyOJUSCHCDAUKZRZ-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.65
Rot. Bonds8

About 2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide

2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide (PubChem CID 119872875) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
PubChem CID119872875
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCCC(NC(=O)CC1CCCN1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C21H32N4O2/c1-2-7-19(24-20(26)15-16-9-6-11-22-16)21(27)23-17-8-5-10-18(14-17)25-12-3-4-13-25/h5,8,10,14,16,19,22H,2-4,6-7,9,11-13,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyOJUSCHCDAUKZRZ-UHFFFAOYSA-N
XLogP2.65
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide
CID 86878307
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119872938
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011
N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide
CID 71857290
(2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid
CID 103869971
N,3-diphenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119780429
6-fluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1H-benzimidazole-4-carboxamide
CID 52526858
(2S)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 95766947
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 119107208

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The IUPAC name of 2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide (CID 119872875) is 2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide.
What is the SMILES notation for 2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The canonical SMILES for 2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide is CCCC(NC(=O)CC1CCCN1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The InChIKey is OJUSCHCDAUKZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-2-7-19(24-20(26)15-16-9-6-11-22-16)21(27)23-17-8-5-10-18(14-17)25-12-3-4-13-25/h5,8,10,14,16,19,22H,2-4,6-7,9,11-13,15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide has a molecular weight of 372.51 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 119872875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).