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

C17H22N2O2 — CID 109131047

IUPAC1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-3-10-18-16(20)14-11-15(14)17(21)19(4-2)12-13-8-6-5-7-9-13/h3,5-9,14-15H,1,4,10-12H2,2H3,(H,18,20)
InChIKeyCDBBKNXZXLJNKV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.97
Rot. Bonds7

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

1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide (PubChem CID 109131047) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
PubChem CID109131047
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-3-10-18-16(20)14-11-15(14)17(21)19(4-2)12-13-8-6-5-7-9-13/h3,5-9,14-15H,1,4,10-12H2,2H3,(H,18,20)
InChIKeyCDBBKNXZXLJNKV-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.97
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-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109136764
1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109133978
1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131116
1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135445
1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109136757
1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109136841
N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136754
1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131092
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
N-benzyl-2-(2,3-dihydroindole-1-carbonyl)-N-ethylcyclopropane-1-carboxamide
CID 109136782
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide (CID 109131047) is 1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide is C=CCNC(=O)C1CC1C(=O)N(CC)Cc1ccccc1.
What is the InChIKey of 1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The InChIKey is CDBBKNXZXLJNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-10-18-16(20)14-11-15(14)17(21)19(4-2)12-13-8-6-5-7-9-13/h3,5-9,14-15H,1,4,10-12H2,2H3,(H,18,20).
What are the key properties of 1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).