N-[(4-methylphenyl)methyl]butanamide

C12H17NO — CID 835678

IUPACN-[(4-methylphenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-3-4-12(14)13-9-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyUWHCUSVTMBVVPC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.41
Rot. Bonds4

About N-[(4-methylphenyl)methyl]butanamide

N-[(4-methylphenyl)methyl]butanamide (PubChem CID 835678) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]butanamide
PubChem CID835678
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(4-methylphenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-3-4-12(14)13-9-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyUWHCUSVTMBVVPC-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019798
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]butanamide (CID 835678) is N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]butanamide is CCCC(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is UWHCUSVTMBVVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-12(14)13-9-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of N-[(4-methylphenyl)methyl]butanamide?
N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 191.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 835678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).