N-cycloheptyl-N'-(4-ethylphenyl)propanediamide

C18H26N2O2 — CID 108951571

IUPACN-cycloheptyl-N'-(4-ethylphenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-2-14-9-11-16(12-10-14)20-18(22)13-17(21)19-15-7-5-3-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyZGCHGCGVUHZDMG-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.42
Rot. Bonds5

About N-cycloheptyl-N'-(4-ethylphenyl)propanediamide

N-cycloheptyl-N'-(4-ethylphenyl)propanediamide (PubChem CID 108951571) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cycloheptyl-N'-(4-ethylphenyl)propanediamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(4-ethylphenyl)propanediamide
PubChem CID108951571
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-cycloheptyl-N'-(4-ethylphenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-2-14-9-11-16(12-10-14)20-18(22)13-17(21)19-15-7-5-3-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyZGCHGCGVUHZDMG-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.42
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

methyl 4-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942635
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090850
N'-(4-bromophenyl)-N-cyclopentylpropanediamide
CID 108942239
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942623
N-cyclohexyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 28587696
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108942640
2-[acetyl(cyclohexyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159508
2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
CID 113166356
N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide
CID 108951577
N-cyclopentyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942248

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(4-ethylphenyl)propanediamide?
The IUPAC name of N-cycloheptyl-N'-(4-ethylphenyl)propanediamide (CID 108951571) is N-cycloheptyl-N'-(4-ethylphenyl)propanediamide.
What is the SMILES notation for N-cycloheptyl-N'-(4-ethylphenyl)propanediamide?
The canonical SMILES for N-cycloheptyl-N'-(4-ethylphenyl)propanediamide is CCc1ccc(NC(=O)CC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-N'-(4-ethylphenyl)propanediamide?
The InChIKey is ZGCHGCGVUHZDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-14-9-11-16(12-10-14)20-18(22)13-17(21)19-15-7-5-3-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-cycloheptyl-N'-(4-ethylphenyl)propanediamide?
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide has a molecular weight of 302.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(4-ethylphenyl)propanediamide is sourced from PubChem (CID 108951571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).