(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide

C18H21NO3 — CID 8005275

IUPAC(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
SMILESCOc1cc(NC(=O)C[C@H](C)c2ccccc2)cc(OC)c1
InChIInChI=1S/C18H21NO3/c1-13(14-7-5-4-6-8-14)9-18(20)19-15-10-16(21-2)12-17(11-15)22-3/h4-8,10-13H,9H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeySQWCASBAHZIORS-ZDUSSCGKSA-N
MW299.37 g/mol
LogP3.84
Rot. Bonds6

About (3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide

(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide (PubChem CID 8005275) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
PubChem CID8005275
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
SMILESCOc1cc(NC(=O)C[C@H](C)c2ccccc2)cc(OC)c1
InChIInChI=1S/C18H21NO3/c1-13(14-7-5-4-6-8-14)9-18(20)19-15-10-16(21-2)12-17(11-15)22-3/h4-8,10-13H,9H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeySQWCASBAHZIORS-ZDUSSCGKSA-N
XLogP3.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680
2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid
CID 122109779
(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide?
The IUPAC name of (3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide (CID 8005275) is (3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide?
The canonical SMILES for (3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide is COc1cc(NC(=O)C[C@H](C)c2ccccc2)cc(OC)c1.
What is the InChIKey of (3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide?
The InChIKey is SQWCASBAHZIORS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(14-7-5-4-6-8-14)9-18(20)19-15-10-16(21-2)12-17(11-15)22-3/h4-8,10-13H,9H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide?
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide has a molecular weight of 299.37 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide is sourced from PubChem (CID 8005275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).