N,N-dicyclohexyl-4-ethoxybenzamide

C21H31NO2 — CID 4227580

IUPACN,N-dicyclohexyl-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H31NO2/c1-2-24-20-15-13-17(14-16-20)21(23)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-16,18-19H,2-12H2,1H3
InChIKeyZREDMPOPWBMEPO-UHFFFAOYSA-N
MW329.48 g/mol
LogP5.19
Rot. Bonds5

About N,N-dicyclohexyl-4-ethoxybenzamide

N,N-dicyclohexyl-4-ethoxybenzamide (PubChem CID 4227580) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is N,N-dicyclohexyl-4-ethoxybenzamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-4-ethoxybenzamide
PubChem CID4227580
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC NameN,N-dicyclohexyl-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H31NO2/c1-2-24-20-15-13-17(14-16-20)21(23)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-16,18-19H,2-12H2,1H3
InChIKeyZREDMPOPWBMEPO-UHFFFAOYSA-N
XLogP5.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.48
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dicyclohexyl-4-ethoxybenzamide 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

4-ethoxy-N-ethyl-N-piperidin-3-ylbenzamide
CID 60807243
N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate
CID 143724469
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide
CID 52568362
N-cyclohexyl-N-methyl-4-pentoxybenzamide
CID 112760417
N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55978627
N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23916411
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
CID 19754888
N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide
CID 78805547
N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
CID 63395634
3-[(4-ethoxybenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146346

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-4-ethoxybenzamide?
The IUPAC name of N,N-dicyclohexyl-4-ethoxybenzamide (CID 4227580) is N,N-dicyclohexyl-4-ethoxybenzamide.
What is the SMILES notation for N,N-dicyclohexyl-4-ethoxybenzamide?
The canonical SMILES for N,N-dicyclohexyl-4-ethoxybenzamide is CCOc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of N,N-dicyclohexyl-4-ethoxybenzamide?
The InChIKey is ZREDMPOPWBMEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-2-24-20-15-13-17(14-16-20)21(23)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-16,18-19H,2-12H2,1H3.
What are the key properties of N,N-dicyclohexyl-4-ethoxybenzamide?
N,N-dicyclohexyl-4-ethoxybenzamide has a molecular weight of 329.48 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4-ethoxybenzamide is sourced from PubChem (CID 4227580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).