2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide

C18H27N3O2 — CID 109133722

IUPAC2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC1C(=O)NCCN(C)C
InChIInChI=1S/C18H27N3O2/c1-5-13-8-6-7-12(2)16(13)20-18(23)15-11-14(15)17(22)19-9-10-21(3)4/h6-8,14-15H,5,9-11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyHMIWRYNLOADEKE-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.81
Rot. Bonds7

About 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide

2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133722) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133722
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC1C(=O)NCCN(C)C
InChIInChI=1S/C18H27N3O2/c1-5-13-8-6-7-12(2)16(13)20-18(23)15-11-14(15)17(22)19-9-10-21(3)4/h6-8,14-15H,5,9-11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyHMIWRYNLOADEKE-UHFFFAOYSA-N
XLogP1.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133726
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133719
1-N,1-N-diethyl-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139318
1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142279
1-N-(2-ethyl-6-methylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138006
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140623
1-N-(2-ethyl-6-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135358
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706
2-N-(2-tert-butylphenyl)-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142222
1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132998
1-N-ethyl-2-N-(2-ethyl-6-methylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142141
(1R,2R,4S)-N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98378388

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109133722) is 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide is CCc1cccc(C)c1NC(=O)C1CC1C(=O)NCCN(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is HMIWRYNLOADEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-13-8-6-7-12(2)16(13)20-18(23)15-11-14(15)17(22)19-9-10-21(3)4/h6-8,14-15H,5,9-11H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.81, 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-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).