N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide

C20H30N2O2 — CID 108951577

IUPACN-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C20H30N2O2/c1-3-15-10-9-11-16(4-2)20(15)22-19(24)14-18(23)21-17-12-7-5-6-8-13-17/h9-11,17H,3-8,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGNMSRQRQJARWLU-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.98
Rot. Bonds6

About N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide

N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide (PubChem CID 108951577) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide
PubChem CID108951577
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C20H30N2O2/c1-3-15-10-9-11-16(4-2)20(15)22-19(24)14-18(23)21-17-12-7-5-6-8-13-17/h9-11,17H,3-8,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGNMSRQRQJARWLU-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.98
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

2-(cyclopentylamino)-N-(2,6-diethylphenyl)acetamide
CID 60647214
N-cyclohexyl-3-(2,6-diethylanilino)propanamide
CID 109014023
N-cyclopentyl-3-(2,6-diethylanilino)propanamide
CID 109013502
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
6-N-cyclopentyl-2-N-(2,6-diethylphenyl)pyridine-2,6-dicarboxamide
CID 109095028
ethyl 4-[[3-(2-ethyl-6-methylanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950238
5-N-cyclohexyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109103083
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108966096

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide?
The IUPAC name of N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide (CID 108951577) is N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide.
What is the SMILES notation for N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide?
The canonical SMILES for N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide is CCc1cccc(CC)c1NC(=O)CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide?
The InChIKey is GNMSRQRQJARWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-15-10-9-11-16(4-2)20(15)22-19(24)14-18(23)21-17-12-7-5-6-8-13-17/h9-11,17H,3-8,12-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide?
N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide has a molecular weight of 330.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide is sourced from PubChem (CID 108951577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).