4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide

C13H19NO2 — CID 110761568

IUPAC4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NC(C)C)cc1C
InChIInChI=1S/C13H19NO2/c1-8(2)14-13(15)11-6-10(4)12(16-5)7-9(11)3/h6-8H,1-5H3,(H,14,15)
InChIKeyXWAVVNSPUMUKLF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.45
Rot. Bonds3

About 4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide

4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide (PubChem CID 110761568) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
PubChem CID110761568
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NC(C)C)cc1C
InChIInChI=1S/C13H19NO2/c1-8(2)14-13(15)11-6-10(4)12(16-5)7-9(11)3/h6-8H,1-5H3,(H,14,15)
InChIKeyXWAVVNSPUMUKLF-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide 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-tert-butyl-4-methoxy-2,5-dimethylbenzamide
CID 110761615
1-(4-methoxy-2,5-dimethylphenyl)-3-methylbutane-1,2-dione
CID 82129213
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide
CID 133250246
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 94619748
methyl 2-(4-methoxy-2,5-dimethylphenyl)prop-2-enoate
CID 116843208
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
1-(4-methoxy-2,5-dimethylphenyl)-2-methylsulfonylpropan-1-one
CID 115797703
2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
CID 112513634
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
4-methoxy-2,5-dimethylbenzoyl cyanide
CID 116918954

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide (CID 110761568) is 4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide is COc1cc(C)c(C(=O)NC(C)C)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide?
The InChIKey is XWAVVNSPUMUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(2)14-13(15)11-6-10(4)12(16-5)7-9(11)3/h6-8H,1-5H3,(H,14,15).
What are the key properties of 4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide?
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 110761568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).