5-ethyl-2-methoxy-N-propan-2-ylbenzamide

C13H19NO2 — CID 110761959

IUPAC5-ethyl-2-methoxy-N-propan-2-ylbenzamide
SMILESCCc1ccc(OC)c(C(=O)NC(C)C)c1
InChIInChI=1S/C13H19NO2/c1-5-10-6-7-12(16-4)11(8-10)13(15)14-9(2)3/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyGMXUCTLFIDHBJB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.40
Rot. Bonds4

About 5-ethyl-2-methoxy-N-propan-2-ylbenzamide

5-ethyl-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 110761959) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-propan-2-ylbenzamide
PubChem CID110761959
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-ethyl-2-methoxy-N-propan-2-ylbenzamide
SMILESCCc1ccc(OC)c(C(=O)NC(C)C)c1
InChIInChI=1S/C13H19NO2/c1-5-10-6-7-12(16-4)11(8-10)13(15)14-9(2)3/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyGMXUCTLFIDHBJB-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2-methoxy-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

propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
5-ethyl-2-methoxybenzoic acid
CID 20721149
2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769
1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 110775027
1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one
CID 112512244
N-(4-acetylphenyl)-5-ethyl-2-methoxybenzamide
CID 110762005
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 51164410
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
2-methoxy-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301929
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
CID 115271280
2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid
CID 70453795
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 5-ethyl-2-methoxy-N-propan-2-ylbenzamide (CID 110761959) is 5-ethyl-2-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-ethyl-2-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 5-ethyl-2-methoxy-N-propan-2-ylbenzamide is CCc1ccc(OC)c(C(=O)NC(C)C)c1.
What is the InChIKey of 5-ethyl-2-methoxy-N-propan-2-ylbenzamide?
The InChIKey is GMXUCTLFIDHBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-10-6-7-12(16-4)11(8-10)13(15)14-9(2)3/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of 5-ethyl-2-methoxy-N-propan-2-ylbenzamide?
5-ethyl-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 110761959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).