1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide

C17H22N2O2 — CID 108970969

IUPAC1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
SMILESC=CCNC(=O)C1(C(=O)N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C17H22N2O2/c1-4-11-18-15(20)17(9-10-17)16(21)19(5-2)14-8-6-7-13(3)12-14/h4,6-8,12H,1,5,9-11H2,2-3H3,(H,18,20)
InChIKeyJMKSRPIWZFOSJG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.43
Rot. Bonds6

About 1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide

1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide (PubChem CID 108970969) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
PubChem CID108970969
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
SMILESC=CCNC(=O)C1(C(=O)N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C17H22N2O2/c1-4-11-18-15(20)17(9-10-17)16(21)19(5-2)14-8-6-7-13(3)12-14/h4,6-8,12H,1,5,9-11H2,2-3H3,(H,18,20)
InChIKeyJMKSRPIWZFOSJG-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
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'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979740
1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980734
1-N'-ethyl-1-N-(3-fluorophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983655
N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
CID 109012170
N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972125
N,4-diethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 63128862
N-ethyl-N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109296103
1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970964
6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110572
1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979188
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid
CID 61207119

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide (CID 108970969) is 1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide is C=CCNC(=O)C1(C(=O)N(CC)c2cccc(C)c2)CC1.
What is the InChIKey of 1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The InChIKey is JMKSRPIWZFOSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-11-18-15(20)17(9-10-17)16(21)19(5-2)14-8-6-7-13(3)12-14/h4,6-8,12H,1,5,9-11H2,2-3H3,(H,18,20).
What are the key properties of 1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.43, 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'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).