2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide

C17H20N2O2 — CID 76892661

IUPAC2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(N)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-2-4-14(5-3-12)11-19-17(21)16(18)10-13-6-8-15(20)9-7-13/h2-9,16,20H,10-11,18H2,1H3,(H,19,21)
InChIKeyPYPMSHOGWFIMGN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.89
Rot. Bonds5

About 2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide

2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 76892661) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID76892661
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(N)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-2-4-14(5-3-12)11-19-17(21)16(18)10-13-6-8-15(20)9-7-13/h2-9,16,20H,10-11,18H2,1H3,(H,19,21)
InChIKeyPYPMSHOGWFIMGN-UHFFFAOYSA-N
XLogP1.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 61148298
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2S)-2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 61156311
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide
CID 141363850
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036
(2S)-2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 106371782
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide (CID 76892661) is 2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(N)Cc2ccc(O)cc2)cc1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is PYPMSHOGWFIMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-2-4-14(5-3-12)11-19-17(21)16(18)10-13-6-8-15(20)9-7-13/h2-9,16,20H,10-11,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 76892661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).