1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide

C16H24N2O — CID 54871932

IUPAC1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESCN(CCc1ccccc1)C(=O)C1(N)CCCCC1
InChIInChI=1S/C16H24N2O/c1-18(13-10-14-8-4-2-5-9-14)15(19)16(17)11-6-3-7-12-16/h2,4-5,8-9H,3,6-7,10-13,17H2,1H3
InChIKeyWKCVSBXASXLUKD-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds4

About 1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide

1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide (PubChem CID 54871932) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
PubChem CID54871932
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESCN(CCc1ccccc1)C(=O)C1(N)CCCCC1
InChIInChI=1S/C16H24N2O/c1-18(13-10-14-8-4-2-5-9-14)15(19)16(17)11-6-3-7-12-16/h2,4-5,8-9H,3,6-7,10-13,17H2,1H3
InChIKeyWKCVSBXASXLUKD-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide (CID 54871932) is 1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide is CN(CCc1ccccc1)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The InChIKey is WKCVSBXASXLUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(13-10-14-8-4-2-5-9-14)15(19)16(17)11-6-3-7-12-16/h2,4-5,8-9H,3,6-7,10-13,17H2,1H3.
What are the key properties of 1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide?
1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 54871932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).