2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide

C17H24N2O2 — CID 109131699

IUPAC2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)N(CC)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-4-12(3)18-16(20)14-11-15(14)17(21)19(5-2)13-9-7-6-8-10-13/h6-10,12,14-15H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyPJYJZNCAESQEKP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.59
Rot. Bonds6

About 2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide

2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109131699) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109131699
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)N(CC)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-4-12(3)18-16(20)14-11-15(14)17(21)19(5-2)13-9-7-6-8-10-13/h6-10,12,14-15H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyPJYJZNCAESQEKP-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131116
1-N-ethyl-2-N-(2-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141985
1-N-ethyl-2-N-(2-ethyl-6-methylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142141
2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142192
1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133540
N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138426
1-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137836
2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142159
1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145572
1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109131764
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109132824
1-N-ethyl-2-N-(3-methylbutyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139998

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109131699) is 2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide is CCC(C)NC(=O)C1CC1C(=O)N(CC)c1ccccc1.
What is the InChIKey of 2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is PJYJZNCAESQEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-12(3)18-16(20)14-11-15(14)17(21)19(5-2)13-9-7-6-8-10-13/h6-10,12,14-15H,4-5,11H2,1-3H3,(H,18,20).
What are the key properties of 2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).