1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide

C17H24N2O2 — CID 108971193

IUPAC1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CNC(=O)C1(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-12(2)11-18-15(20)17(9-10-17)16(21)19-13(3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRRRNNDCWTKSVMT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.42
Rot. Bonds6

About 1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide

1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971193) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971193
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CNC(=O)C1(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-12(2)11-18-15(20)17(9-10-17)16(21)19-13(3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRRRNNDCWTKSVMT-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.42
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

1-N-[(2-methylphenyl)methyl]-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108974902
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108973227
1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971239
1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975398
1-N'-(1-phenylethyl)-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975446
1-(2-phenylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75500959
1-N-(3-acetamidophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975451
1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095026
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971329

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide (CID 108971193) is 1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide is CC(C)CNC(=O)C1(C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is RRRNNDCWTKSVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)11-18-15(20)17(9-10-17)16(21)19-13(3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).