(1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride

C19H31ClN2O3 — CID 155972383

IUPAC(1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride
SMILESCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2OC)CC[C@H]1N.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-3-12-24-18-13-15(8-9-16(18)20)19(22)21-11-10-14-6-4-5-7-17(14)23-2;/h4-7,15-16,18H,3,8-13,20H2,1-2H3,(H,21,22);1H/t15-,16+,18+;/m0./s1
InChIKeyZRQNCWMLXUQOKV-JTCBYWPXSA-N
MW370.92 g/mol
LogP2.70
Rot. Bonds8

About (1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride

(1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride (PubChem CID 155972383) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride
PubChem CID155972383
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC Name(1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride
SMILESCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2OC)CC[C@H]1N.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-3-12-24-18-13-15(8-9-16(18)20)19(22)21-11-10-14-6-4-5-7-17(14)23-2;/h4-7,15-16,18H,3,8-13,20H2,1-2H3,(H,21,22);1H/t15-,16+,18+;/m0./s1
InChIKeyZRQNCWMLXUQOKV-JTCBYWPXSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,3R,4R)-4-amino-N-(3-phenylpropyl)-3-propoxycyclohexane-1-carboxamide
CID 154817706
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096
(1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 163334574
(1S,3R,4R)-4-amino-3-propoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 155940694
(1S,3R,4R)-4-amino-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxycyclohexane-1-carboxamide
CID 155498616
(1S,3R,4R)-4-amino-3-propoxy-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 163334035
3-[[[(1S,3R,4R)-4-amino-3-propoxycyclohexanecarbonyl]amino]methyl]-N-methylbenzamide;hydrochloride
CID 163334296
(1S,3R,4R)-3-amino-4-propoxy-N-[2-(3-propoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155938128
N-[2-(2-methoxyphenyl)ethyl]-5-methylpiperidine-3-carboxamide
CID 106261488
1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186883

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride (CID 155972383) is (1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride is CCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2OC)CC[C@H]1N.Cl.
What is the InChIKey of (1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZRQNCWMLXUQOKV-JTCBYWPXSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-3-12-24-18-13-15(8-9-16(18)20)19(22)21-11-10-14-6-4-5-7-17(14)23-2;/h4-7,15-16,18H,3,8-13,20H2,1-2H3,(H,21,22);1H/t15-,16+,18+;/m0./s1.
What are the key properties of (1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride?
(1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-propoxycyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 155972383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).