N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide

C17H19NO2 — CID 135065543

IUPACN-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide
SMILESCc1cccc([C@@H](O)[C@H](C)NC(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-12-7-6-10-15(11-12)16(19)13(2)18-17(20)14-8-4-3-5-9-14/h3-11,13,16,19H,1-2H3,(H,18,20)/t13-,16-/m0/s1
InChIKeyCWATZIYNVQGWAQ-BBRMVZONSA-N
MW269.34 g/mol
LogP2.85
Rot. Bonds4

About N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide

N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide (PubChem CID 135065543) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide
PubChem CID135065543
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide
SMILESCc1cccc([C@@H](O)[C@H](C)NC(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-12-7-6-10-15(11-12)16(19)13(2)18-17(20)14-8-4-3-5-9-14/h3-11,13,16,19H,1-2H3,(H,18,20)/t13-,16-/m0/s1
InChIKeyCWATZIYNVQGWAQ-BBRMVZONSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6918716
3-N-[(2S,3R)-4-(benzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
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CID 68538837
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide (CID 135065543) is N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide is Cc1cccc([C@@H](O)[C@H](C)NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide?
The InChIKey is CWATZIYNVQGWAQ-BBRMVZONSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-7-6-10-15(11-12)16(19)13(2)18-17(20)14-8-4-3-5-9-14/h3-11,13,16,19H,1-2H3,(H,18,20)/t13-,16-/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide?
N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide has a molecular weight of 269.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-(3-methylphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 135065543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).