2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide

C21H34N2O3 — CID 52559669

IUPAC2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H34N2O3/c1-7-26-17-12-9-8-11-16(17)19(25)22-14-10-13-18(24)23-21(5,6)15-20(2,3)4/h8-9,11-12H,7,10,13-15H2,1-6H3,(H,22,25)(H,23,24)
InChIKeyYXXQBEHKEOBZSY-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.93
Rot. Bonds9

About 2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide

2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide (PubChem CID 52559669) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
PubChem CID52559669
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H34N2O3/c1-7-26-17-12-9-8-11-16(17)19(25)22-14-10-13-18(24)23-21(5,6)15-20(2,3)4/h8-9,11-12H,7,10,13-15H2,1-6H3,(H,22,25)(H,23,24)
InChIKeyYXXQBEHKEOBZSY-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide 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-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-[4-[3-(2,2-dimethylpropanoylamino)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55532439
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid
CID 119113379
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide (CID 52559669) is 2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide?
The InChIKey is YXXQBEHKEOBZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-7-26-17-12-9-8-11-16(17)19(25)22-14-10-13-18(24)23-21(5,6)15-20(2,3)4/h8-9,11-12H,7,10,13-15H2,1-6H3,(H,22,25)(H,23,24).
What are the key properties of 2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide?
2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide has a molecular weight of 362.51 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide is sourced from PubChem (CID 52559669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).