1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen

C15H21NO2 — CID 143768561

IUPAC1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)C(=O)C1(C(=O)Nc2ccccc2)CC1.[H][H]
InChIInChI=1S/C15H19NO2.H2/c1-14(2,3)12(17)15(9-10-15)13(18)16-11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3,(H,16,18);1H
InChIKeyPFVNVUBCUZSRHU-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.27
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen

1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 143768561) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen
PubChem CID143768561
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)C(=O)C1(C(=O)Nc2ccccc2)CC1.[H][H]
InChIInChI=1S/C15H19NO2.H2/c1-14(2,3)12(17)15(9-10-15)13(18)16-11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3,(H,16,18);1H
InChIKeyPFVNVUBCUZSRHU-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
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'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide
CID 164543902
4-(2,2-dimethylpropanoyl)-2-methyl-N-phenyl-1,3-dithiane-4-carboxamide
CID 18386582
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980627
1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
2,2-dimethyl-1-[1-(2-phenylacetyl)cyclopropyl]propan-1-one
CID 160648622
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
1-chloro-N-phenylcyclopropane-1-carboxamide
CID 130016520
1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 175630260
1-N-(4-tert-butylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980760

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen (CID 143768561) is 1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)C(=O)C1(C(=O)Nc2ccccc2)CC1.[H][H].
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is PFVNVUBCUZSRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.H2/c1-14(2,3)12(17)15(9-10-15)13(18)16-11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3,(H,16,18);1H.
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen?
1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 247.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 143768561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).