N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide

C20H30N2O3 — CID 134060964

IUPACN-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N(CC)C1CCCC1
InChIInChI=1S/C20H30N2O3/c1-3-22(16-10-5-6-11-16)19(23)14-9-15-21-20(24)17-12-7-8-13-18(17)25-4-2/h7-8,12-13,16H,3-6,9-11,14-15H2,1-2H3,(H,21,24)
InChIKeyCFLKLMYSHYUPIT-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.39
Rot. Bonds9

About N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide

N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide (PubChem CID 134060964) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
PubChem CID134060964
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N(CC)C1CCCC1
InChIInChI=1S/C20H30N2O3/c1-3-22(16-10-5-6-11-16)19(23)14-9-15-21-20(24)17-12-7-8-13-18(17)25-4-2/h7-8,12-13,16H,3-6,9-11,14-15H2,1-2H3,(H,21,24)
InChIKeyCFLKLMYSHYUPIT-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7042884
2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride
CID 119531158
2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide
CID 119442533
N-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24632581
N-[4-[2-(cyclopentylcarbamothioyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9090176
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide
CID 119467614
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 134060864
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 36841911
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119467613
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide (CID 134060964) is N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCC(=O)N(CC)C1CCCC1.
What is the InChIKey of N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide?
The InChIKey is CFLKLMYSHYUPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-22(16-10-5-6-11-16)19(23)14-9-15-21-20(24)17-12-7-8-13-18(17)25-4-2/h7-8,12-13,16H,3-6,9-11,14-15H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide?
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide has a molecular weight of 346.47 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide is sourced from PubChem (CID 134060964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).