N-(3-ethylphenyl)-2-phenylbutanamide

C18H21NO — CID 2931545

IUPACN-(3-ethylphenyl)-2-phenylbutanamide
SMILESCCc1cccc(NC(=O)C(CC)c2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-3-14-9-8-12-16(13-14)19-18(20)17(4-2)15-10-6-5-7-11-15/h5-13,17H,3-4H2,1-2H3,(H,19,20)
InChIKeyGCWRJLYBZCMHSL-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.38
Rot. Bonds5

About N-(3-ethylphenyl)-2-phenylbutanamide

N-(3-ethylphenyl)-2-phenylbutanamide (PubChem CID 2931545) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-phenylbutanamide
PubChem CID2931545
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-(3-ethylphenyl)-2-phenylbutanamide
SMILESCCc1cccc(NC(=O)C(CC)c2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-3-14-9-8-12-16(13-14)19-18(20)17(4-2)15-10-6-5-7-11-15/h5-13,17H,3-4H2,1-2H3,(H,19,20)
InChIKeyGCWRJLYBZCMHSL-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172
2-chloro-N-(3-ethylphenyl)butanamide
CID 20553592
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
3-amino-N-(3-ethylphenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62876522
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N-(4-bromo-3-methylphenyl)-2-phenylbutanamide
CID 2905555
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-phenylbutanamide?
The IUPAC name of N-(3-ethylphenyl)-2-phenylbutanamide (CID 2931545) is N-(3-ethylphenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-phenylbutanamide?
The canonical SMILES for N-(3-ethylphenyl)-2-phenylbutanamide is CCc1cccc(NC(=O)C(CC)c2ccccc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-phenylbutanamide?
The InChIKey is GCWRJLYBZCMHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-14-9-8-12-16(13-14)19-18(20)17(4-2)15-10-6-5-7-11-15/h5-13,17H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-(3-ethylphenyl)-2-phenylbutanamide?
N-(3-ethylphenyl)-2-phenylbutanamide has a molecular weight of 267.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-phenylbutanamide is sourced from PubChem (CID 2931545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).