3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide

C17H20N2O2 — CID 107701634

IUPAC3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
SMILESCc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1O
InChIInChI=1S/C17H20N2O2/c1-11-8-9-14(10-15(11)20)19-17(21)12(2)16(18)13-6-4-3-5-7-13/h3-10,12,16,20H,18H2,1-2H3,(H,19,21)
InChIKeyVFMSGKLKXFESNY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds4

About 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide

3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide (PubChem CID 107701634) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
PubChem CID107701634
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
SMILESCc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1O
InChIInChI=1S/C17H20N2O2/c1-11-8-9-14(10-15(11)20)19-17(21)12(2)16(18)13-6-4-3-5-7-13/h3-10,12,16,20H,18H2,1-2H3,(H,19,21)
InChIKeyVFMSGKLKXFESNY-UHFFFAOYSA-N
XLogP2.98
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 119780768
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119780262
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119678167
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide
CID 119769536
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
CID 119747993

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide (CID 107701634) is 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide is Cc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1O.
What is the InChIKey of 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide?
The InChIKey is VFMSGKLKXFESNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-8-9-14(10-15(11)20)19-17(21)12(2)16(18)13-6-4-3-5-7-13/h3-10,12,16,20H,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide?
3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 107701634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).