(2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide

C23H23NO4 — CID 69017627

IUPAC(2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCOc1cc(CCNC(=O)[C@@H](O)c2ccc(-c3ccccc3)cc2)ccc1O
InChIInChI=1S/C23H23NO4/c1-28-21-15-16(7-12-20(21)25)13-14-24-23(27)22(26)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-12,15,22,25-26H,13-14H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyYEBKQFVWWLTCBZ-QFIPXVFZSA-N
MW377.44 g/mol
LogP3.46
Rot. Bonds7

About (2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide

(2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 69017627) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID69017627
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCOc1cc(CCNC(=O)[C@@H](O)c2ccc(-c3ccccc3)cc2)ccc1O
InChIInChI=1S/C23H23NO4/c1-28-21-15-16(7-12-20(21)25)13-14-24-23(27)22(26)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-12,15,22,25-26H,13-14H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyYEBKQFVWWLTCBZ-QFIPXVFZSA-N
XLogP3.46
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 69018228
N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride
CID 170901975
(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 69019591
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxyacetamide;2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid
CID 157283919
2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 67520120
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120668542
2-(3,4-dichlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-hydroxyacetamide
CID 54368713
4-[4-(2-aminoethyl)phenyl]-2-methoxyphenol;3,4-dihydroxy-N-[2-[4-(4-hydroxy-3-methoxyphenyl)phenyl]ethyl]butanamide
CID 161482217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of (2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide (CID 69017627) is (2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for (2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide is COc1cc(CCNC(=O)[C@@H](O)c2ccc(-c3ccccc3)cc2)ccc1O.
What is the InChIKey of (2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is YEBKQFVWWLTCBZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23NO4/c1-28-21-15-16(7-12-20(21)25)13-14-24-23(27)22(26)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-12,15,22,25-26H,13-14H2,1H3,(H,24,27)/t22-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide?
(2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 69017627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).