3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide

C16H17NO3 — CID 110004090

IUPAC3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-11-7-13(9-14(19)8-11)16(20)17-15(10-18)12-5-3-2-4-6-12/h2-9,15,18-19H,10H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeyIIXKFMCQZMDYPQ-OAHLLOKOSA-N
MW271.32 g/mol
LogP2.16
Rot. Bonds4

About 3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide

3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide (PubChem CID 110004090) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
PubChem CID110004090
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-11-7-13(9-14(19)8-11)16(20)17-15(10-18)12-5-3-2-4-6-12/h2-9,15,18-19H,10H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeyIIXKFMCQZMDYPQ-OAHLLOKOSA-N
XLogP2.16
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 107861785
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
3-amino-5-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzamide
CID 107861714
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide
CID 104630304
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide (CID 110004090) is 3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide is Cc1cc(O)cc(C(=O)N[C@H](CO)c2ccccc2)c1.
What is the InChIKey of 3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide?
The InChIKey is IIXKFMCQZMDYPQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-7-13(9-14(19)8-11)16(20)17-15(10-18)12-5-3-2-4-6-12/h2-9,15,18-19H,10H2,1H3,(H,17,20)/t15-/m1/s1.
What are the key properties of 3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide?
3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide is sourced from PubChem (CID 110004090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).