3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide

C18H26N2O2 — CID 119697846

IUPAC3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCC(N)C2)C2CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-22-16-9-7-13(8-10-16)17(12-5-6-12)20-18(21)14-3-2-4-15(19)11-14/h7-10,12,14-15,17H,2-6,11,19H2,1H3,(H,20,21)
InChIKeyXIGXKLQYCHHZLH-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.78
Rot. Bonds5

About 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide

3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 119697846) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID119697846
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCC(N)C2)C2CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-22-16-9-7-13(8-10-16)17(12-5-6-12)20-18(21)14-3-2-4-15(19)11-14/h7-10,12,14-15,17H,2-6,11,19H2,1H3,(H,20,21)
InChIKeyXIGXKLQYCHHZLH-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697842
9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985157
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775064
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
(2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 61253815
N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 46449818
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119720260

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 119697846) is 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1ccc(C(NC(=O)C2CCCC(N)C2)C2CC2)cc1.
What is the InChIKey of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is XIGXKLQYCHHZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-16-9-7-13(8-10-16)17(12-5-6-12)20-18(21)14-3-2-4-15(19)11-14/h7-10,12,14-15,17H,2-6,11,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119697846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).