3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride

C19H31ClN2O3 — CID 119786390

IUPAC3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCOc1cc(CCCNC(=O)C2CCCC(N)C2)ccc1OC.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-3-24-18-12-14(9-10-17(18)23-2)6-5-11-21-19(22)15-7-4-8-16(20)13-15;/h9-10,12,15-16H,3-8,11,13,20H2,1-2H3,(H,21,22);1H
InChIKeyVGIZTPACCWRQFN-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.08
Rot. Bonds8

About 3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119786390) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is 3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119786390
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC Name3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCOc1cc(CCCNC(=O)C2CCCC(N)C2)ccc1OC.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-3-24-18-12-14(9-10-17(18)23-2)6-5-11-21-19(22)15-7-4-8-16(20)13-15;/h9-10,12,15-16H,3-8,11,13,20H2,1-2H3,(H,21,22);1H
InChIKeyVGIZTPACCWRQFN-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119786388
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119774829
cis-(1S,2R)-2-[3-(3-ethoxy-4-methoxyphenyl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150507
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide
CID 75392355
3-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788200
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
1-[3-(3-ethoxy-4-methoxyphenyl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122002866
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine
CID 111812363
(2S,4S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616882
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119774826
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119786416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride (CID 119786390) is 3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride is CCOc1cc(CCCNC(=O)C2CCCC(N)C2)ccc1OC.Cl.
What is the InChIKey of 3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is VGIZTPACCWRQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-3-24-18-12-14(9-10-17(18)23-2)6-5-11-21-19(22)15-7-4-8-16(20)13-15;/h9-10,12,15-16H,3-8,11,13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119786390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).