1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide

C17H26N2O2 — CID 119316887

IUPAC1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CCCNC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-15-9-5-7-14(13-15)8-6-12-19-16(20)17(18)10-3-2-4-11-17/h5,7,9,13H,2-4,6,8,10-12,18H2,1H3,(H,19,20)
InChIKeyPUWVZPCSLUAPPA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.41
Rot. Bonds6

About 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide

1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide (PubChem CID 119316887) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
PubChem CID119316887
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CCCNC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-15-9-5-7-14(13-15)8-6-12-19-16(20)17(18)10-3-2-4-11-17/h5,7,9,13H,2-4,6,8,10-12,18H2,1H3,(H,19,20)
InChIKeyPUWVZPCSLUAPPA-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.41
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

1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316878
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 119772031
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
1-amino-N-[3-(3-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119331598
2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 111537902
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
1-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]cyclohexane-1-carboxamide
CID 119316937
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115184171
2-(1-aminocyclobutyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 103808810

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide (CID 119316887) is 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide is COc1cccc(CCCNC(=O)C2(N)CCCCC2)c1.
What is the InChIKey of 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide?
The InChIKey is PUWVZPCSLUAPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-15-9-5-7-14(13-15)8-6-12-19-16(20)17(18)10-3-2-4-11-17/h5,7,9,13H,2-4,6,8,10-12,18H2,1H3,(H,19,20).
What are the key properties of 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide?
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119316887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).