N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide

C18H24N2O2 — CID 108942883

IUPACN'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
SMILESO=C(CC(=O)NCc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C18H24N2O2/c21-17(19-12-11-15-7-3-1-4-8-15)13-18(22)20-14-16-9-5-2-6-10-16/h2,5-7,9-10H,1,3-4,8,11-14H2,(H,19,21)(H,20,22)
InChIKeyBRDACCRCHPSKNR-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.70
Rot. Bonds7

About N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide

N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide (PubChem CID 108942883) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
PubChem CID108942883
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
SMILESO=C(CC(=O)NCc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C18H24N2O2/c21-17(19-12-11-15-7-3-1-4-8-15)13-18(22)20-14-16-9-5-2-6-10-16/h2,5-7,9-10H,1,3-4,8,11-14H2,(H,19,21)(H,20,22)
InChIKeyBRDACCRCHPSKNR-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide
CID 108942896
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108993808
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-ylacetamide
CID 27666304

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide?
The IUPAC name of N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide (CID 108942883) is N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide.
What is the SMILES notation for N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide?
The canonical SMILES for N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide is O=C(CC(=O)NCc1ccccc1)NCCC1=CCCCC1.
What is the InChIKey of N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide?
The InChIKey is BRDACCRCHPSKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17(19-12-11-15-7-3-1-4-8-15)13-18(22)20-14-16-9-5-2-6-10-16/h2,5-7,9-10H,1,3-4,8,11-14H2,(H,19,21)(H,20,22).
What are the key properties of N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide?
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide has a molecular weight of 300.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide is sourced from PubChem (CID 108942883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).