1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide

C17H26N2O2 — CID 107449310

IUPAC1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccccc1NC1(C(N)=O)CCCC(C(C)C)C1
InChIInChI=1S/C17H26N2O2/c1-12(2)13-7-6-10-17(11-13,16(18)20)19-14-8-4-5-9-15(14)21-3/h4-5,8-9,12-13,19H,6-7,10-11H2,1-3H3,(H2,18,20)
InChIKeyCKFJGSBZRAWCFD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds5

About 1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide

1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 107449310) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
PubChem CID107449310
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccccc1NC1(C(N)=O)CCCC(C(C)C)C1
InChIInChI=1S/C17H26N2O2/c1-12(2)13-7-6-10-17(11-13,16(18)20)19-14-8-4-5-9-15(14)21-3/h4-5,8-9,12-13,19H,6-7,10-11H2,1-3H3,(H2,18,20)
InChIKeyCKFJGSBZRAWCFD-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide (CID 107449310) is 1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide is COc1ccccc1NC1(C(N)=O)CCCC(C(C)C)C1.
What is the InChIKey of 1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is CKFJGSBZRAWCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)13-7-6-10-17(11-13,16(18)20)19-14-8-4-5-9-15(14)21-3/h4-5,8-9,12-13,19H,6-7,10-11H2,1-3H3,(H2,18,20).
What are the key properties of 1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide?
1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 107449310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).