N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide

C12H17NO2 — CID 167046854

IUPACN-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)[C@@H](C)O)cc1
InChIInChI=1S/C12H17NO2/c1-8-4-6-11(7-5-8)12(15)13-9(2)10(3)14/h4-7,9-10,14H,1-3H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyFZXDRGLUGLOHKA-NXEZZACHSA-N
MW207.27 g/mol
LogP1.49
Rot. Bonds3

About N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide

N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide (PubChem CID 167046854) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
PubChem CID167046854
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)[C@@H](C)O)cc1
InChIInChI=1S/C12H17NO2/c1-8-4-6-11(7-5-8)12(15)13-9(2)10(3)14/h4-7,9-10,14H,1-3H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyFZXDRGLUGLOHKA-NXEZZACHSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
N-(1-aminoethyl)-4-methylbenzamide;hydrochloride
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CID 27349912
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971
N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide
CID 140968714
methyl 2-[(4-methylbenzoyl)amino]propanoate
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4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-(4-bromobutan-2-yl)-4-methylbenzamide
CID 83180516
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985
N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
CID 34256707

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide (CID 167046854) is N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C)[C@@H](C)O)cc1.
What is the InChIKey of N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide?
The InChIKey is FZXDRGLUGLOHKA-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-4-6-11(7-5-8)12(15)13-9(2)10(3)14/h4-7,9-10,14H,1-3H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide?
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 167046854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).