3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride

C19H31ClN2O2 — CID 119709118

IUPAC3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CCCC(N)C1)C(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-4-21(19(22)16-6-5-7-17(20)13-16)14(2)12-15-8-10-18(23-3)11-9-15;/h8-11,14,16-17H,4-7,12-13,20H2,1-3H3;1H
InChIKeyFVVKOFGRZJSTNP-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.41
Rot. Bonds6

About 3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119709118) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119709118
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CCCC(N)C1)C(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-4-21(19(22)16-6-5-7-17(20)13-16)14(2)12-15-8-10-18(23-3)11-9-15;/h8-11,14,16-17H,4-7,12-13,20H2,1-3H3;1H
InChIKeyFVVKOFGRZJSTNP-UHFFFAOYSA-N
XLogP3.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
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CID 119709145
(3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 95175385
3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119795534
3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62777350
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737170
3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide
CID 119806871
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119741679
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
3-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119775947
3-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119709118) is 3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride is CCN(C(=O)C1CCCC(N)C1)C(C)Cc1ccc(OC)cc1.Cl.
What is the InChIKey of 3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FVVKOFGRZJSTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-4-21(19(22)16-6-5-7-17(20)13-16)14(2)12-15-8-10-18(23-3)11-9-15;/h8-11,14,16-17H,4-7,12-13,20H2,1-3H3;1H.
What are the key properties of 3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119709118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).