2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide

C17H25N3O2 — CID 109133719

IUPAC2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)NCCN(C)C
InChIInChI=1S/C17H25N3O2/c1-4-12-7-5-6-8-15(12)19-17(22)14-11-13(14)16(21)18-9-10-20(2)3/h5-8,13-14H,4,9-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyFJGMLHMAEXFLSF-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.50
Rot. Bonds7

About 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133719) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133719
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)NCCN(C)C
InChIInChI=1S/C17H25N3O2/c1-4-12-7-5-6-8-15(12)19-17(22)14-11-13(14)16(21)18-9-10-20(2)3/h5-8,13-14H,4,9-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyFJGMLHMAEXFLSF-UHFFFAOYSA-N
XLogP1.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133726
1-N-(2-ethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132991
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133722
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135043
2-N-(2-ethylphenyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109140512
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
1-N-(2-ethylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138520
2-N-cyclopentyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132081
1-N-ethyl-2-N-(2-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141985

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109133719) is 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide is CCc1ccccc1NC(=O)C1CC1C(=O)NCCN(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is FJGMLHMAEXFLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-12-7-5-6-8-15(12)19-17(22)14-11-13(14)16(21)18-9-10-20(2)3/h5-8,13-14H,4,9-11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).