N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide

C18H21NO2 — CID 3495763

IUPACN-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(C)cc1OC)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-4-15(14-8-6-5-7-9-14)18(20)19-16-11-10-13(2)12-17(16)21-3/h5-12,15H,4H2,1-3H3,(H,19,20)
InChIKeyLGTJHLYNSISPOD-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.14
Rot. Bonds5

About N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide

N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide (PubChem CID 3495763) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
PubChem CID3495763
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(C)cc1OC)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-4-15(14-8-6-5-7-9-14)18(20)19-16-11-10-13(2)12-17(16)21-3/h5-12,15H,4H2,1-3H3,(H,19,20)
InChIKeyLGTJHLYNSISPOD-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide
CID 46323234
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea
CID 58607437
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
CID 60934492
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
CID 106834917
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
CID 41083072
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46629703

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide (CID 3495763) is N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide is CCC(C(=O)Nc1ccc(C)cc1OC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide?
The InChIKey is LGTJHLYNSISPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-15(14-8-6-5-7-9-14)18(20)19-16-11-10-13(2)12-17(16)21-3/h5-12,15H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide?
N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide has a molecular weight of 283.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide is sourced from PubChem (CID 3495763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).