1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

C20H28N2O3 — CID 108972257

IUPAC1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-14(2)25-17-10-8-16(9-11-17)22-19(24)20(12-13-20)18(23)21-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGOWQKBBYCFKKGM-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.64
Rot. Bonds6

About 1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108972257) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108972257
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-14(2)25-17-10-8-16(9-11-17)22-19(24)20(12-13-20)18(23)21-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGOWQKBBYCFKKGM-UHFFFAOYSA-N
XLogP3.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972267
N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108986381
N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942623
N-cyclopentyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942248
1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 108980460
1-N-cyclopentyl-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971842
1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970739
1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971910
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983259
1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972266
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982309

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108972257) is 1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is CC(C)Oc1ccc(NC(=O)C2(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is GOWQKBBYCFKKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(2)25-17-10-8-16(9-11-17)22-19(24)20(12-13-20)18(23)21-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).