N-(3,5-dimethoxyphenyl)-2-phenylbutanamide

C18H21NO3 — CID 2924276

IUPACN-(3,5-dimethoxyphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-4-17(13-8-6-5-7-9-13)18(20)19-14-10-15(21-2)12-16(11-14)22-3/h5-12,17H,4H2,1-3H3,(H,19,20)
InChIKeyILJICNIDVTVYPT-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.84
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-phenylbutanamide

N-(3,5-dimethoxyphenyl)-2-phenylbutanamide (PubChem CID 2924276) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-phenylbutanamide
PubChem CID2924276
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(3,5-dimethoxyphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-4-17(13-8-6-5-7-9-13)18(20)19-14-10-15(21-2)12-16(11-14)22-3/h5-12,17H,4H2,1-3H3,(H,19,20)
InChIKeyILJICNIDVTVYPT-UHFFFAOYSA-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

(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
dimethyl 4-[3-(2-phenylbutanoylamino)phenoxy]benzene-1,2-dicarboxylate
CID 17296746
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-phenylbutanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-phenylbutanamide (CID 2924276) is N-(3,5-dimethoxyphenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-phenylbutanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-phenylbutanamide is CCC(C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-phenylbutanamide?
The InChIKey is ILJICNIDVTVYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-17(13-8-6-5-7-9-13)18(20)19-14-10-15(21-2)12-16(11-14)22-3/h5-12,17H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-phenylbutanamide?
N-(3,5-dimethoxyphenyl)-2-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 N-(3,5-dimethoxyphenyl)-2-phenylbutanamide is sourced from PubChem (CID 2924276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).