4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide

C20H31N3O3 — CID 35417368

IUPAC4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCCN2CCC(C)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-3-26-18-7-5-17(6-8-18)20(25)22-15-19(24)21-11-4-12-23-13-9-16(2)10-14-23/h5-8,16H,3-4,9-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVQBFTEOIGBQCAZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.05
Rot. Bonds9

About 4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide (PubChem CID 35417368) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
PubChem CID35417368
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCCN2CCC(C)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-3-26-18-7-5-17(6-8-18)20(25)22-15-19(24)21-11-4-12-23-13-9-16(2)10-14-23/h5-8,16H,3-4,9-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVQBFTEOIGBQCAZ-UHFFFAOYSA-N
XLogP2.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide
CID 55848187
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 154775568
N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55629295
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24982875
4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide (CID 35417368) is 4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCCCN2CCC(C)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
The InChIKey is VQBFTEOIGBQCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-26-18-7-5-17(6-8-18)20(25)22-15-19(24)21-11-4-12-23-13-9-16(2)10-14-23/h5-8,16H,3-4,9-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 35417368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).