3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide

C19H23NO2 — CID 110297227

IUPAC3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-15(17-8-10-18(22-2)11-9-17)14-19(21)20-13-12-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,20,21)
InChIKeyKGIOLQKYHYIQOQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.55
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide

3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide (PubChem CID 110297227) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
PubChem CID110297227
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-15(17-8-10-18(22-2)11-9-17)14-19(21)20-13-12-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,20,21)
InChIKeyKGIOLQKYHYIQOQ-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110307646
3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide
CID 110311190
3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 3618581
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
CID 119407461
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951977
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9445831
3-[3-(4-methoxyphenyl)butanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120701155
3-(ethylamino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 62838416

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide (CID 110297227) is 3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide is COc1ccc(C(C)CC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide?
The InChIKey is KGIOLQKYHYIQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(17-8-10-18(22-2)11-9-17)14-19(21)20-13-12-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide?
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide has a molecular weight of 297.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 110297227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).