N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide

C16H23NO — CID 6469111

IUPACN-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
SMILESCCC(NC(=O)C1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C16H23NO/c1-3-15(13-10-8-12(2)9-11-13)17-16(18)14-6-4-5-7-14/h8-11,14-15H,3-7H2,1-2H3,(H,17,18)
InChIKeyMGWXDNLELKPYNN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide

N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide (PubChem CID 6469111) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
PubChem CID6469111
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
SMILESCCC(NC(=O)C1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C16H23NO/c1-3-15(13-10-8-12(2)9-11-13)17-16(18)14-6-4-5-7-14/h8-11,14-15H,3-7H2,1-2H3,(H,17,18)
InChIKeyMGWXDNLELKPYNN-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
CID 64824324
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
1-ethylsulfonyl-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 50946502
(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 95118826
1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 134028904
2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978215
2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975840
3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 107067400
tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
CID 9155664

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide (CID 6469111) is N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide is CCC(NC(=O)C1CCCC1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide?
The InChIKey is MGWXDNLELKPYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-15(13-10-8-12(2)9-11-13)17-16(18)14-6-4-5-7-14/h8-11,14-15H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide?
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide has a molecular weight of 245.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 6469111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).