(2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide

C19H23NO3 — CID 97019721

IUPAC(2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)N[C@H](C)CCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(8-9-15-10-12-17(21)13-11-15)20-19(22)18(23-2)16-6-4-3-5-7-16/h3-7,10-14,18,21H,8-9H2,1-2H3,(H,20,22)/t14-,18+/m1/s1
InChIKeyCJYCTLMHJTVXTC-KDOFPFPSSA-N
MW313.40 g/mol
LogP3.22
Rot. Bonds7

About (2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide

(2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide (PubChem CID 97019721) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide
PubChem CID97019721
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)N[C@H](C)CCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(8-9-15-10-12-17(21)13-11-15)20-19(22)18(23-2)16-6-4-3-5-7-16/h3-7,10-14,18,21H,8-9H2,1-2H3,(H,20,22)/t14-,18+/m1/s1
InChIKeyCJYCTLMHJTVXTC-KDOFPFPSSA-N
XLogP3.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]propanamide
CID 18598850
methyl 4-[3-[(2-hydroxy-2-phenylacetyl)amino]butyl]benzoate
CID 14579287
N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
3-amino-4-[4-(4-hydroxyphenyl)butan-2-ylamino]-4-oxobutanoic acid
CID 64896095
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
CID 119038942
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
CID 55104650
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate
CID 43726104
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide (CID 97019721) is (2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide is CO[C@H](C(=O)N[C@H](C)CCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is CJYCTLMHJTVXTC-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(8-9-15-10-12-17(21)13-11-15)20-19(22)18(23-2)16-6-4-3-5-7-16/h3-7,10-14,18,21H,8-9H2,1-2H3,(H,20,22)/t14-,18+/m1/s1.
What are the key properties of (2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide?
(2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 313.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 97019721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).