3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride

C18H29ClN2O2 — CID 119693830

IUPAC3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(OCCCNC(=O)C1CCCC(N)C1)c1ccccc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-14(15-7-3-2-4-8-15)22-12-6-11-20-18(21)16-9-5-10-17(19)13-16;/h2-4,7-8,14,16-17H,5-6,9-13,19H2,1H3,(H,20,21);1H
InChIKeyKLAGXDIQXLBDFG-UHFFFAOYSA-N
MW340.89 g/mol
LogP3.21
Rot. Bonds7

About 3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119693830) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is 3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119693830
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC Name3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(OCCCNC(=O)C1CCCC(N)C1)c1ccccc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-14(15-7-3-2-4-8-15)22-12-6-11-20-18(21)16-9-5-10-17(19)13-16;/h2-4,7-8,14,16-17H,5-6,9-13,19H2,1H3,(H,20,21);1H
InChIKeyKLAGXDIQXLBDFG-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119273576
ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 134048726
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694903
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119742923
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
N-[3-(1-phenylethoxy)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119273555
3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
CID 119821976
(4R)-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]imidazolidine-4-carboxamide
CID 97089035
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride (CID 119693830) is 3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride is CC(OCCCNC(=O)C1CCCC(N)C1)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is KLAGXDIQXLBDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-14(15-7-3-2-4-8-15)22-12-6-11-20-18(21)16-9-5-10-17(19)13-16;/h2-4,7-8,14,16-17H,5-6,9-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119693830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).