N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide

C25H38N4O3 — CID 86878307

IUPACN-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide
SMILESCCCC(NC(=O)CCNC(=O)C1CCCCC1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C25H38N4O3/c1-2-9-22(28-23(30)14-15-26-24(31)19-10-4-3-5-11-19)25(32)27-20-12-8-13-21(18-20)29-16-6-7-17-29/h8,12-13,18-19,22H,2-7,9-11,14-17H2,1H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeySBASNSNUVJSINQ-UHFFFAOYSA-N
MW442.60 g/mol
LogP3.60
Rot. Bonds10

About N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide

N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide (PubChem CID 86878307) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide
PubChem CID86878307
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC NameN-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide
SMILESCCCC(NC(=O)CCNC(=O)C1CCCCC1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C25H38N4O3/c1-2-9-22(28-23(30)14-15-26-24(31)19-10-4-3-5-11-19)25(32)27-20-12-8-13-21(18-20)29-16-6-7-17-29/h8,12-13,18-19,22H,2-7,9-11,14-17H2,1H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeySBASNSNUVJSINQ-UHFFFAOYSA-N
XLogP3.60
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide with MolForge

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Related Compounds

2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 119872875
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119872938
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 60622642
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide
CID 71857290
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
(2S)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 95766947
N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 52525487
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide (CID 86878307) is N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide is CCCC(NC(=O)CCNC(=O)C1CCCCC1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide?
The InChIKey is SBASNSNUVJSINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-2-9-22(28-23(30)14-15-26-24(31)19-10-4-3-5-11-19)25(32)27-20-12-8-13-21(18-20)29-16-6-7-17-29/h8,12-13,18-19,22H,2-7,9-11,14-17H2,1H3,(H,26,31)(H,27,32)(H,28,30).
What are the key properties of N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide?
N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide has a molecular weight of 442.60 g/mol, XLogP of 3.60, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 86878307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).