N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide

C20H25NO2 — CID 43027690

IUPACN-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
SMILESCCC(NC(=O)C(CC)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H25NO2/c1-4-18(15-9-7-6-8-10-15)20(22)21-19(5-2)16-11-13-17(23-3)14-12-16/h6-14,18-19H,4-5H2,1-3H3,(H,21,22)
InChIKeyOWOMMSJPBGZYKN-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.46
Rot. Bonds7

About N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide

N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide (PubChem CID 43027690) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
PubChem CID43027690
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
SMILESCCC(NC(=O)C(CC)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H25NO2/c1-4-18(15-9-7-6-8-10-15)20(22)21-19(5-2)16-11-13-17(23-3)14-12-16/h6-14,18-19H,4-5H2,1-3H3,(H,21,22)
InChIKeyOWOMMSJPBGZYKN-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
3-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)butanoylamino]propanoic acid
CID 120684395
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054925
N-[1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133162154
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111454052
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
2-[2-(4-methoxyphenyl)butanoylamino]-3-methylpentanoic acid
CID 120686644
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide (CID 43027690) is N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide is CCC(NC(=O)C(CC)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide?
The InChIKey is OWOMMSJPBGZYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-18(15-9-7-6-8-10-15)20(22)21-19(5-2)16-11-13-17(23-3)14-12-16/h6-14,18-19H,4-5H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide?
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide has a molecular weight of 311.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide is sourced from PubChem (CID 43027690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).