1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride

C19H31ClN2O3 — CID 119339438

IUPAC1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCOCCOc1cc(C)ccc1CNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-3-23-11-12-24-17-13-15(2)7-8-16(17)14-21-18(22)19(20)9-5-4-6-10-19;/h7-8,13H,3-6,9-12,14,20H2,1-2H3,(H,21,22);1H
InChIKeyXDPHIEDEPSVOSL-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.11
Rot. Bonds8

About 1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119339438) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is 1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119339438
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC Name1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCOCCOc1cc(C)ccc1CNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-3-23-11-12-24-17-13-15(2)7-8-16(17)14-21-18(22)19(20)9-5-4-6-10-19;/h7-8,13H,3-6,9-12,14,20H2,1-2H3,(H,21,22);1H
InChIKeyXDPHIEDEPSVOSL-UHFFFAOYSA-N
XLogP3.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;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

1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 119811160
4-[[2-(2-ethoxyethoxy)-4-methylphenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005886
1-[(2-ethoxy-4-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120695854
3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119811342
N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
CID 119339437
1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119338922
1-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119864986
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide
CID 119338913
1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119285335
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119339438) is 1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride is CCOCCOc1cc(C)ccc1CNC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is XDPHIEDEPSVOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-3-23-11-12-24-17-13-15(2)7-8-16(17)14-21-18(22)19(20)9-5-4-6-10-19;/h7-8,13H,3-6,9-12,14,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119339438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).