2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide

C18H22N2O2 — CID 142629845

IUPAC2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide
SMILESCOc1cccc(C(C)(Cc2ccccc2)C(N)C(N)=O)c1
InChIInChI=1S/C18H22N2O2/c1-18(16(19)17(20)21,12-13-7-4-3-5-8-13)14-9-6-10-15(11-14)22-2/h3-11,16H,12,19H2,1-2H3,(H2,20,21)
InChIKeyZSAKHIYLFSIJHI-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.01
Rot. Bonds6

About 2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide

2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide (PubChem CID 142629845) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide
PubChem CID142629845
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide
SMILESCOc1cccc(C(C)(Cc2ccccc2)C(N)C(N)=O)c1
InChIInChI=1S/C18H22N2O2/c1-18(16(19)17(20)21,12-13-7-4-3-5-8-13)14-9-6-10-15(11-14)22-2/h3-11,16H,12,19H2,1-2H3,(H2,20,21)
InChIKeyZSAKHIYLFSIJHI-UHFFFAOYSA-N
XLogP2.01
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-methoxyphenyl)-1-phenylpropan-2-yl]acetamide
CID 15115342
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
(2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid
CID 150337252
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate
CID 124561920
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
2-amino-2-(3-methoxyphenyl)propanamide
CID 60795453
[(2S,3S)-2-amino-3-hydroxy-3-methyl-4-phenylbutanoyl] (2S,3S)-2-amino-3-hydroxy-3-methyl-4-phenylbutanoate
CID 57192957
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
2,2,2-tris(3-methoxyphenyl)acetamide
CID 174763658
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
1-tert-butyl-4-[2-(3-methoxyphenyl)-2-methylpropyl]benzene
CID 129081798

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide?
The IUPAC name of 2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide (CID 142629845) is 2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide.
What is the SMILES notation for 2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide?
The canonical SMILES for 2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide is COc1cccc(C(C)(Cc2ccccc2)C(N)C(N)=O)c1.
What is the InChIKey of 2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide?
The InChIKey is ZSAKHIYLFSIJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(16(19)17(20)21,12-13-7-4-3-5-8-13)14-9-6-10-15(11-14)22-2/h3-11,16H,12,19H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide?
2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide has a molecular weight of 298.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide is sourced from PubChem (CID 142629845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).