N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide

C19H28N2O3 — CID 51237421

IUPACN-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-2-24-17-12-7-6-11-16(17)19(23)20-14-8-13-18(22)21-15-9-4-3-5-10-15/h6-7,11-12,15H,2-5,8-10,13-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyGIMONAIRYNYMCY-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.04
Rot. Bonds8

About N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide

N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide (PubChem CID 51237421) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
PubChem CID51237421
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-2-24-17-12-7-6-11-16(17)19(23)20-14-8-13-18(22)21-15-9-4-3-5-10-15/h6-7,11-12,15H,2-5,8-10,13-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyGIMONAIRYNYMCY-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
N-[4-[2-(cyclopentylcarbamothioyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9090176
2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119426258
cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
CID 120675480
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
CID 52559669
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 51296073

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide (CID 51237421) is N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCC(=O)NC1CCCCC1.
What is the InChIKey of N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide?
The InChIKey is GIMONAIRYNYMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-24-17-12-7-6-11-16(17)19(23)20-14-8-13-18(22)21-15-9-4-3-5-10-15/h6-7,11-12,15H,2-5,8-10,13-14H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide?
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide has a molecular weight of 332.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide is sourced from PubChem (CID 51237421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).