N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide

C13H19NO2 — CID 40922017

IUPACN-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
SMILESCC[C@H](C)NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO2/c1-5-10(3)14-13(15)11-6-7-12(16-4)9(2)8-11/h6-8,10H,5H2,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyDLAAXHNVRTZVMX-JTQLQIEISA-N
MW221.30 g/mol
LogP2.53
Rot. Bonds4

About N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide

N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide (PubChem CID 40922017) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
PubChem CID40922017
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
SMILESCC[C@H](C)NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO2/c1-5-10(3)14-13(15)11-6-7-12(16-4)9(2)8-11/h6-8,10H,5H2,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyDLAAXHNVRTZVMX-JTQLQIEISA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide 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

4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
CID 41370948
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
CID 133179091
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 66772927
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide (CID 40922017) is N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide is CC[C@H](C)NC(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide?
The InChIKey is DLAAXHNVRTZVMX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-10(3)14-13(15)11-6-7-12(16-4)9(2)8-11/h6-8,10H,5H2,1-4H3,(H,14,15)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide?
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide is sourced from PubChem (CID 40922017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).