N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide

C16H22N2O2 — CID 17191350

IUPACN-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H22N2O2/c1-12-5-4-6-13(11-12)16(20)17-10-9-15(19)18-14-7-2-3-8-14/h4-6,11,14H,2-3,7-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyQZSZQKBKARAOFT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.17
Rot. Bonds5

About N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide

N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide (PubChem CID 17191350) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
PubChem CID17191350
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H22N2O2/c1-12-5-4-6-13(11-12)16(20)17-10-9-15(19)18-14-7-2-3-8-14/h4-6,11,14H,2-3,7-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyQZSZQKBKARAOFT-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide
CID 17191566
N-cyclooctyl-3-methylbenzamide
CID 966011
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide
CID 18121033
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364084
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436
N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 110992709
N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
CID 17191539
N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide
CID 110345713
N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013435
N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013960
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide (CID 17191350) is N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC(=O)NC2CCCC2)c1.
What is the InChIKey of N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide?
The InChIKey is QZSZQKBKARAOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-5-4-6-13(11-12)16(20)17-10-9-15(19)18-14-7-2-3-8-14/h4-6,11,14H,2-3,7-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide?
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide has a molecular weight of 274.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 17191350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).