2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide

C18H21NO3 — CID 97320908

IUPAC2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(O)cc1)[C@H](C)Oc1ccccc1
InChIInChI=1S/C18H21NO3/c1-13(14(2)22-17-6-4-3-5-7-17)19-18(21)12-15-8-10-16(20)11-9-15/h3-11,13-14,20H,12H2,1-2H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyIQTAVJNLBJOVFV-KBPBESRZSA-N
MW299.37 g/mol
LogP2.91
Rot. Bonds6

About 2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide

2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide (PubChem CID 97320908) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide
PubChem CID97320908
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(O)cc1)[C@H](C)Oc1ccccc1
InChIInChI=1S/C18H21NO3/c1-13(14(2)22-17-6-4-3-5-7-17)19-18(21)12-15-8-10-16(20)11-9-15/h3-11,13-14,20H,12H2,1-2H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyIQTAVJNLBJOVFV-KBPBESRZSA-N
XLogP2.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N-[(2R,3R)-3-phenoxybutan-2-yl]acetamide
CID 97215730
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide
CID 97215731
(2R)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 28934153
2-(4-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945145
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
2-phenoxy-2-[(2-phenylacetyl)amino]acetamide
CID 54258999
2-(4-ethylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 4953447
(2R)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 28934137
2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
CID 126650060
N-(3-hydroxy-4-phenylbutan-2-yl)-2-(4-phenylphenyl)acetamide
CID 75386489
2-(4-ethylphenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 99626723

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide (CID 97320908) is 2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide is C[C@H](NC(=O)Cc1ccc(O)cc1)[C@H](C)Oc1ccccc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide?
The InChIKey is IQTAVJNLBJOVFV-KBPBESRZSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(14(2)22-17-6-4-3-5-7-17)19-18(21)12-15-8-10-16(20)11-9-15/h3-11,13-14,20H,12H2,1-2H3,(H,19,21)/t13-,14-/m0/s1.
What are the key properties of 2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide?
2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[(2S,3S)-3-phenoxybutan-2-yl]acetamide is sourced from PubChem (CID 97320908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).