N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide

C15H22N2O2 — CID 108574738

IUPACN-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
SMILESCCCC(=O)NCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-5-14(18)16-8-9-17-15(19)13-7-6-11(2)12(3)10-13/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyFFQXZPCERGZPEZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide

N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide (PubChem CID 108574738) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
PubChem CID108574738
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
SMILESCCCC(=O)NCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-5-14(18)16-8-9-17-15(19)13-7-6-11(2)12(3)10-13/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyFFQXZPCERGZPEZ-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide 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

3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
CID 108542747
N-hexyl-3,4-dimethylbenzamide
CID 4523484
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108574747
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398
tert-butyl N-[3-[3-[(3,4-dimethylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921652
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27682949
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide
CID 94266976
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880

Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide (CID 108574738) is N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide is CCCC(=O)NCCNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide?
The InChIKey is FFQXZPCERGZPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-5-14(18)16-8-9-17-15(19)13-7-6-11(2)12(3)10-13/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide?
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 108574738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).