2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide

C21H32N2O — CID 14208389

IUPAC2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide
SMILESO=C(CNC1CCCCC1)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H32N2O/c24-20(16-22-19-14-8-3-9-15-19)23-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1,4-5,10-11,18-19,21-22H,2-3,6-9,12-16H2,(H,23,24)
InChIKeyYKFKYDGGORYAKK-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.35
Rot. Bonds6

About 2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide

2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide (PubChem CID 14208389) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide
PubChem CID14208389
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide
SMILESO=C(CNC1CCCCC1)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H32N2O/c24-20(16-22-19-14-8-3-9-15-19)23-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1,4-5,10-11,18-19,21-22H,2-3,6-9,12-16H2,(H,23,24)
InChIKeyYKFKYDGGORYAKK-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide (CID 14208389) is 2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide is O=C(CNC1CCCCC1)NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide?
The InChIKey is YKFKYDGGORYAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c24-20(16-22-19-14-8-3-9-15-19)23-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1,4-5,10-11,18-19,21-22H,2-3,6-9,12-16H2,(H,23,24).
What are the key properties of 2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide?
2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide has a molecular weight of 328.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]acetamide is sourced from PubChem (CID 14208389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).