1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide

C16H18N2O2 — CID 175630260

IUPAC1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide
SMILESC=C/C=C(\C)NC(=O)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H18N2O2/c1-3-7-12(2)17-14(19)16(10-11-16)15(20)18-13-8-5-4-6-9-13/h3-9H,1,10-11H2,2H3,(H,17,19)(H,18,20)/b12-7+
InChIKeyPCPURIDCBHKVRN-KPKJPENVSA-N
MW270.33 g/mol
LogP2.61
Rot. Bonds5

About 1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide

1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 175630260) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide
PubChem CID175630260
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide
SMILESC=C/C=C(\C)NC(=O)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H18N2O2/c1-3-7-12(2)17-14(19)16(10-11-16)15(20)18-13-8-5-4-6-9-13/h3-9H,1,10-11H2,2H3,(H,17,19)(H,18,20)/b12-7+
InChIKeyPCPURIDCBHKVRN-KPKJPENVSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide
CID 164543902
1-(2,2-dimethylpropanoyl)-N-phenylcyclopropane-1-carboxamide;molecular hydrogen
CID 143768561
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-N'-[(1E)-1-fluorobuta-1,3-dien-2-yl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 129171820
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
cobalt;N-phenylacetamide
CID 158689050
1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570
1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980631
1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 108974308
1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980627

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide (CID 175630260) is 1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide is C=C/C=C(\C)NC(=O)C1(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is PCPURIDCBHKVRN-KPKJPENVSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-7-12(2)17-14(19)16(10-11-16)15(20)18-13-8-5-4-6-9-13/h3-9H,1,10-11H2,2H3,(H,17,19)(H,18,20)/b12-7+.
What are the key properties of 1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide?
1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(2E)-penta-2,4-dien-2-yl]-1-N-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 175630260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).