1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide

C15H18N2O2 — CID 108970867

IUPAC1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
SMILESC=CCNC(=O)C1(C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C15H18N2O2/c1-3-10-16-13(18)15(8-9-15)14(19)17-12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,16,18)(H,17,19)
InChIKeyDKIHRCCJUKDPJS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.02
Rot. Bonds5

About 1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide

1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide (PubChem CID 108970867) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
PubChem CID108970867
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
SMILESC=CCNC(=O)C1(C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C15H18N2O2/c1-3-10-16-13(18)15(8-9-15)14(19)17-12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,16,18)(H,17,19)
InChIKeyDKIHRCCJUKDPJS-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970964
1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970946
1-N'-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980646
1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980653
1-N'-(2-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980660
1-N'-(4-ethylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970880
N'-(2-methylphenyl)-N-prop-2-enylbutanediamide
CID 571935
1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970891
1-N-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715
1-N'-(4-cyanophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970968
1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975398
1-N-prop-2-enyl-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108970930

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide (CID 108970867) is 1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide is C=CCNC(=O)C1(C(=O)Nc2ccccc2C)CC1.
What is the InChIKey of 1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The InChIKey is DKIHRCCJUKDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-10-16-13(18)15(8-9-15)14(19)17-12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,16,18)(H,17,19).
What are the key properties of 1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).