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

C20H33ClN2O3 — CID 119296520

IUPAC1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCCCOc1ccc(C(C)NC(=O)C2(N)CCCCC2)cc1OC.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-4-5-13-25-17-10-9-16(14-18(17)24-3)15(2)22-19(23)20(21)11-7-6-8-12-20;/h9-10,14-15H,4-8,11-13,21H2,1-3H3,(H,22,23);1H
InChIKeyKQOJYLLDRFGAIE-UHFFFAOYSA-N
MW384.95 g/mol
LogP4.13
Rot. Bonds8

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

1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119296520) has the molecular formula C20H33ClN2O3 and a molecular weight of 384.95 g/mol. Its IUPAC name is 1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119296520
Molecular FormulaC20H33ClN2O3
Molecular Weight384.95 g/mol
Exact Mass384.22
IUPAC Name1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCCCOc1ccc(C(C)NC(=O)C2(N)CCCCC2)cc1OC.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-4-5-13-25-17-10-9-16(14-18(17)24-3)15(2)22-19(23)20(21)11-7-6-8-12-20;/h9-10,14-15H,4-8,11-13,21H2,1-3H3,(H,22,23);1H
InChIKeyKQOJYLLDRFGAIE-UHFFFAOYSA-N
XLogP4.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.13
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

1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288209
1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 55964151
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
1-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852194
2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 119736427
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119722949
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890755
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119296520) is 1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is CCCCOc1ccc(C(C)NC(=O)C2(N)CCCCC2)cc1OC.Cl.
What is the InChIKey of 1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is KQOJYLLDRFGAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3.ClH/c1-4-5-13-25-17-10-9-16(14-18(17)24-3)15(2)22-19(23)20(21)11-7-6-8-12-20;/h9-10,14-15H,4-8,11-13,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119296520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).