N-[(4-ethylphenyl)methyl]butanamide

C13H19NO — CID 110779517

IUPACN-[(4-ethylphenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc(CC)cc1
InChIInChI=1S/C13H19NO/c1-3-5-13(15)14-10-12-8-6-11(4-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKeyHXSFTJPIAKGYRP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds5

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

N-[(4-ethylphenyl)methyl]butanamide (PubChem CID 110779517) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]butanamide
PubChem CID110779517
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(4-ethylphenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc(CC)cc1
InChIInChI=1S/C13H19NO/c1-3-5-13(15)14-10-12-8-6-11(4-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKeyHXSFTJPIAKGYRP-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 103795066
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
4-[(butanoylamino)methyl]benzenesulfonyl chloride
CID 24688623
6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide
CID 106899790
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784514
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]butanamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]butanamide (CID 110779517) is N-[(4-ethylphenyl)methyl]butanamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]butanamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]butanamide is CCCC(=O)NCc1ccc(CC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]butanamide?
The InChIKey is HXSFTJPIAKGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-5-13(15)14-10-12-8-6-11(4-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,14,15).
What are the key properties of N-[(4-ethylphenyl)methyl]butanamide?
N-[(4-ethylphenyl)methyl]butanamide has a molecular weight of 205.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]butanamide is sourced from PubChem (CID 110779517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).