N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide

C18H24N2O3 — CID 26721985

IUPACN-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NCCC(=O)NC1CCCC1
InChIInChI=1S/C18H24N2O3/c21-16(14-6-2-1-3-7-14)10-11-17(22)19-13-12-18(23)20-15-8-4-5-9-15/h1-3,6-7,15H,4-5,8-13H2,(H,19,22)(H,20,23)
InChIKeyQNSJIXNFZIAVBK-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.21
Rot. Bonds8

About N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide

N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide (PubChem CID 26721985) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
PubChem CID26721985
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NCCC(=O)NC1CCCC1
InChIInChI=1S/C18H24N2O3/c21-16(14-6-2-1-3-7-14)10-11-17(22)19-13-12-18(23)20-15-8-4-5-9-15/h1-3,6-7,15H,4-5,8-13H2,(H,19,22)(H,20,23)
InChIKeyQNSJIXNFZIAVBK-UHFFFAOYSA-N
XLogP2.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid
CID 50968880
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
CID 94283308
phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate
CID 1131242
N-cyclopentyl-2-phenacylsulfanylacetamide
CID 126798493
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 119477041
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide (CID 26721985) is N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)NCCC(=O)NC1CCCC1.
What is the InChIKey of N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide?
The InChIKey is QNSJIXNFZIAVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16(14-6-2-1-3-7-14)10-11-17(22)19-13-12-18(23)20-15-8-4-5-9-15/h1-3,6-7,15H,4-5,8-13H2,(H,19,22)(H,20,23).
What are the key properties of N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide?
N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide has a molecular weight of 316.40 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 26721985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).