N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide

C15H23NO3 — CID 93041550

IUPACN-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-4-14(9-17)16-15(18)13-7-5-12(6-8-13)10-19-11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,16,18)/t14-/m1/s1
InChIKeyIIIXKDUNAAUXCL-CQSZACIVSA-N
MW265.35 g/mol
LogP2.11
Rot. Bonds7

About N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide

N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide (PubChem CID 93041550) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
PubChem CID93041550
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-4-14(9-17)16-15(18)13-7-5-12(6-8-13)10-19-11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,16,18)/t14-/m1/s1
InChIKeyIIIXKDUNAAUXCL-CQSZACIVSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
CID 115767414
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771460
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
CID 61244206
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
CID 61245639
5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid
CID 120547120
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide (CID 93041550) is N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide is CC[C@H](CO)NC(=O)c1ccc(COC(C)C)cc1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is IIIXKDUNAAUXCL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-14(9-17)16-15(18)13-7-5-12(6-8-13)10-19-11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,16,18)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide?
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 93041550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).