3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride

C18H28ClN3O3 — CID 119816560

IUPAC3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-4-24-16-9-8-13(18(23)21(2)3)11-15(16)20-17(22)12-6-5-7-14(19)10-12;/h8-9,11-12,14H,4-7,10,19H2,1-3H3,(H,20,22);1H
InChIKeyLGLZZQAEWVLGPV-UHFFFAOYSA-N
MW369.89 g/mol
LogP2.66
Rot. Bonds5

About 3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride

3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride (PubChem CID 119816560) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
PubChem CID119816560
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-4-24-16-9-8-13(18(23)21(2)3)11-15(16)20-17(22)12-6-5-7-14(19)10-12;/h8-9,11-12,14H,4-7,10,19H2,1-3H3,(H,20,22);1H
InChIKeyLGLZZQAEWVLGPV-UHFFFAOYSA-N
XLogP2.66
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride 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-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119342431
3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119686949
3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119745061
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119725658
3-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119773171
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119702541
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide
CID 119759863
3-amino-N-(4-bromo-2-ethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812502
3-(2-aminopentanoylamino)-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119342429
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
3-amino-N-(4-methyl-2-propoxyphenyl)cyclohexane-1-carboxamide
CID 63042176

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride (CID 119816560) is 3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride is CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is LGLZZQAEWVLGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-4-24-16-9-8-13(18(23)21(2)3)11-15(16)20-17(22)12-6-5-7-14(19)10-12;/h8-9,11-12,14H,4-7,10,19H2,1-3H3,(H,20,22);1H.
What are the key properties of 3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride?
3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119816560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).