1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide

C16H20N2O2 — CID 109131116

IUPAC1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)N(CC)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-3-10-17-15(19)13-11-14(13)16(20)18(4-2)12-8-6-5-7-9-12/h3,5-9,13-14H,1,4,10-11H2,2H3,(H,17,19)
InChIKeyCKHWHCMWLHNROF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.98
Rot. Bonds6

About 1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide

1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide (PubChem CID 109131116) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
PubChem CID109131116
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)N(CC)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-3-10-17-15(19)13-11-14(13)16(20)18(4-2)12-8-6-5-7-9-12/h3,5-9,13-14H,1,4,10-11H2,2H3,(H,17,19)
InChIKeyCKHWHCMWLHNROF-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131047
2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109131699
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109132824
1-N-ethyl-2-N-(2-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141985
1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133540
1-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137836
2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142192
1-N-ethyl-2-N-(2-ethyl-6-methylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142141
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133808
1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131092
2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142159
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134131

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide (CID 109131116) is 1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide is C=CCNC(=O)C1CC1C(=O)N(CC)c1ccccc1.
What is the InChIKey of 1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The InChIKey is CKHWHCMWLHNROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-10-17-15(19)13-11-14(13)16(20)18(4-2)12-8-6-5-7-9-12/h3,5-9,13-14H,1,4,10-11H2,2H3,(H,17,19).
What are the key properties of 1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).