N-benzyl-N'-cyclohexylpropanediamide

C16H22N2O2 — CID 108942512

IUPACN-benzyl-N'-cyclohexylpropanediamide
SMILESO=C(CC(=O)NC1CCCCC1)NCc1ccccc1
InChIInChI=1S/C16H22N2O2/c19-15(17-12-13-7-3-1-4-8-13)11-16(20)18-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,19)(H,18,20)
InChIKeyGTIFCJOZFUBQHS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.14
Rot. Bonds5

About N-benzyl-N'-cyclohexylpropanediamide

N-benzyl-N'-cyclohexylpropanediamide (PubChem CID 108942512) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-benzyl-N'-cyclohexylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N'-cyclohexylpropanediamide
PubChem CID108942512
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-benzyl-N'-cyclohexylpropanediamide
SMILESO=C(CC(=O)NC1CCCCC1)NCc1ccccc1
InChIInChI=1S/C16H22N2O2/c19-15(17-12-13-7-3-1-4-8-13)11-16(20)18-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,19)(H,18,20)
InChIKeyGTIFCJOZFUBQHS-UHFFFAOYSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945749
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide
CID 2959299
2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide
CID 2976790
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
1-benzyl-3-(cyclohexylcarbamothioyl)urea
CID 134871380
2-(benzylamino)-4-(cyclohexylamino)-4-oxobutanoic acid
CID 562125
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclopropyl-2-phenylacetamide
CID 5175687

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-cyclohexylpropanediamide?
The IUPAC name of N-benzyl-N'-cyclohexylpropanediamide (CID 108942512) is N-benzyl-N'-cyclohexylpropanediamide.
What is the SMILES notation for N-benzyl-N'-cyclohexylpropanediamide?
The canonical SMILES for N-benzyl-N'-cyclohexylpropanediamide is O=C(CC(=O)NC1CCCCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-cyclohexylpropanediamide?
The InChIKey is GTIFCJOZFUBQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(17-12-13-7-3-1-4-8-13)11-16(20)18-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,19)(H,18,20).
What are the key properties of N-benzyl-N'-cyclohexylpropanediamide?
N-benzyl-N'-cyclohexylpropanediamide has a molecular weight of 274.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-cyclohexylpropanediamide is sourced from PubChem (CID 108942512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).