2-(3-ethylanilino)-N-(3-methylbutyl)propanamide

C16H26N2O — CID 43113209

IUPAC2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
SMILESCCc1cccc(NC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-5-14-7-6-8-15(11-14)18-13(4)16(19)17-10-9-12(2)3/h6-8,11-13,18H,5,9-10H2,1-4H3,(H,17,19)
InChIKeyVVMSTSSXWAWNQG-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.21
Rot. Bonds7

About 2-(3-ethylanilino)-N-(3-methylbutyl)propanamide

2-(3-ethylanilino)-N-(3-methylbutyl)propanamide (PubChem CID 43113209) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(3-ethylanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
PubChem CID43113209
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
SMILESCCc1cccc(NC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-5-14-7-6-8-15(11-14)18-13(4)16(19)17-10-9-12(2)3/h6-8,11-13,18H,5,9-10H2,1-4H3,(H,17,19)
InChIKeyVVMSTSSXWAWNQG-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-ethylanilino)-N-(3-methylbutyl)propanamide 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

2-(3-ethylanilino)-N-(3-methylbutyl)acetamide
CID 60672205
2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 43112828
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112977
3-ethyl-N-pentan-2-ylaniline
CID 43102191
1-(3-ethylanilino)ethanol
CID 174601913
N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide
CID 46667072
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
2-(1,3-benzodioxol-5-ylamino)-N-(3-methylbutyl)propanamide
CID 43112699
2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
CID 107619927

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(3-ethylanilino)-N-(3-methylbutyl)propanamide (CID 43113209) is 2-(3-ethylanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(3-ethylanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(3-ethylanilino)-N-(3-methylbutyl)propanamide is CCc1cccc(NC(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-(3-ethylanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is VVMSTSSXWAWNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-14-7-6-8-15(11-14)18-13(4)16(19)17-10-9-12(2)3/h6-8,11-13,18H,5,9-10H2,1-4H3,(H,17,19).
What are the key properties of 2-(3-ethylanilino)-N-(3-methylbutyl)propanamide?
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43113209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).