1-anilinocyclohexane-1-carboxamide

C13H18N2O — CID 1264884

IUPAC1-anilinocyclohexane-1-carboxamide
SMILESNC(=O)C1(Nc2ccccc2)CCCCC1
InChIInChI=1S/C13H18N2O/c14-12(16)13(9-5-2-6-10-13)15-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H2,14,16)
InChIKeyMYHZOZJLNZBBGE-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.29
Rot. Bonds3

About 1-anilinocyclohexane-1-carboxamide

1-anilinocyclohexane-1-carboxamide (PubChem CID 1264884) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-anilinocyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-anilinocyclohexane-1-carboxamide
PubChem CID1264884
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-anilinocyclohexane-1-carboxamide
SMILESNC(=O)C1(Nc2ccccc2)CCCCC1
InChIInChI=1S/C13H18N2O/c14-12(16)13(9-5-2-6-10-13)15-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H2,14,16)
InChIKeyMYHZOZJLNZBBGE-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-anilinocyclohexane-1-carboxamide?
The IUPAC name of 1-anilinocyclohexane-1-carboxamide (CID 1264884) is 1-anilinocyclohexane-1-carboxamide.
What is the SMILES notation for 1-anilinocyclohexane-1-carboxamide?
The canonical SMILES for 1-anilinocyclohexane-1-carboxamide is NC(=O)C1(Nc2ccccc2)CCCCC1.
What is the InChIKey of 1-anilinocyclohexane-1-carboxamide?
The InChIKey is MYHZOZJLNZBBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12(16)13(9-5-2-6-10-13)15-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H2,14,16).
What are the key properties of 1-anilinocyclohexane-1-carboxamide?
1-anilinocyclohexane-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilinocyclohexane-1-carboxamide is sourced from PubChem (CID 1264884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).