2-(4-methylphenyl)pentanamide

C12H17NO — CID 91135302

IUPAC2-(4-methylphenyl)pentanamide
SMILESCCCC(C(N)=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-3-4-11(12(13)14)10-7-5-9(2)6-8-10/h5-8,11H,3-4H2,1-2H3,(H2,13,14)
InChIKeyVKESCCGFMZXVKI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-methylphenyl)pentanamide

2-(4-methylphenyl)pentanamide (PubChem CID 91135302) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)pentanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)pentanamide
PubChem CID91135302
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(4-methylphenyl)pentanamide
SMILESCCCC(C(N)=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-3-4-11(12(13)14)10-7-5-9(2)6-8-10/h5-8,11H,3-4H2,1-2H3,(H2,13,14)
InChIKeyVKESCCGFMZXVKI-UHFFFAOYSA-N
XLogP2.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)pentanamide
CID 10728355
2-(4-methylphenyl)hexanediamide
CID 174359492
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
(2S)-2-(3,4-dihydroxyphenyl)pentanamide
CID 5324670
2-(4-methylphenyl)-1-phenylpentan-1-one
CID 134967757
2-(3,5-dihydroxyphenyl)pentanamide
CID 139605066
ethyl 2-(4-propan-2-ylphenyl)pentanoate
CID 83042532
2-[4-(2-oxopiperidin-1-yl)phenyl]pentanamide
CID 141059160
2-phenylheptanamide
CID 67221214
3-(4-methylphenyl)hexanoic acid
CID 23456891
2-(4-butoxyphenyl)pentanediamide
CID 20546483
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)pentanamide?
The IUPAC name of 2-(4-methylphenyl)pentanamide (CID 91135302) is 2-(4-methylphenyl)pentanamide.
What is the SMILES notation for 2-(4-methylphenyl)pentanamide?
The canonical SMILES for 2-(4-methylphenyl)pentanamide is CCCC(C(N)=O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)pentanamide?
The InChIKey is VKESCCGFMZXVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-11(12(13)14)10-7-5-9(2)6-8-10/h5-8,11H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 2-(4-methylphenyl)pentanamide?
2-(4-methylphenyl)pentanamide has a molecular weight of 191.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)pentanamide is sourced from PubChem (CID 91135302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).