N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide

C14H21NO2 — CID 93032259

IUPACN-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
SMILESCC[C@@H](CO)NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-13(9-16)15-14(17)12-7-5-11(6-8-12)10(2)3/h5-8,10,13,16H,4,9H2,1-3H3,(H,15,17)/t13-/m0/s1
InChIKeyXZZQGIVODOTPOY-ZDUSSCGKSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds5

About N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide

N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide (PubChem CID 93032259) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
PubChem CID93032259
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
SMILESCC[C@@H](CO)NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-13(9-16)15-14(17)12-7-5-11(6-8-12)10(2)3/h5-8,10,13,16H,4,9H2,1-3H3,(H,15,17)/t13-/m0/s1
InChIKeyXZZQGIVODOTPOY-ZDUSSCGKSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide
CID 63753720
N-hex-5-yn-3-yl-4-propan-2-ylbenzamide
CID 115647299
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide
CID 51471886
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 103920276
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 16769025
N-(1-hydroxybutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110466125
4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide
CID 110026465
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide (CID 93032259) is N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide is CC[C@@H](CO)NC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide?
The InChIKey is XZZQGIVODOTPOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-13(9-16)15-14(17)12-7-5-11(6-8-12)10(2)3/h5-8,10,13,16H,4,9H2,1-3H3,(H,15,17)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide?
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 93032259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).