2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide

C19H28N2O3 — CID 36841911

IUPAC2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C19H28N2O3/c1-3-24-17-8-5-4-7-16(17)19(23)20-12-6-9-18(22)21-13-10-15(2)11-14-21/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,20,23)
InChIKeyKMKLCHAQINOSKY-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.85
Rot. Bonds7

About 2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide

2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide (PubChem CID 36841911) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
PubChem CID36841911
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C19H28N2O3/c1-3-24-17-8-5-4-7-16(17)19(23)20-12-6-9-18(22)21-13-10-15(2)11-14-21/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,20,23)
InChIKeyKMKLCHAQINOSKY-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]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

N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide
CID 119467614
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119467613
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
CID 120675480
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
CID 119446636
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide (CID 36841911) is 2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide?
The InChIKey is KMKLCHAQINOSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-24-17-8-5-4-7-16(17)19(23)20-12-6-9-18(22)21-13-10-15(2)11-14-21/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,20,23).
What are the key properties of 2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide?
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide has a molecular weight of 332.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide is sourced from PubChem (CID 36841911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).