2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide

C18H27N3O2 — CID 109133808

IUPAC2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)NCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C18H27N3O2/c1-5-21(14-8-6-7-13(2)11-14)18(23)16-12-15(16)17(22)19-9-10-20(3)4/h6-8,11,15-16H,5,9-10,12H2,1-4H3,(H,19,22)
InChIKeySQNNCWPEQJMZGS-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.66
Rot. Bonds7

About 2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide

2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133808) 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-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133808
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)NCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C18H27N3O2/c1-5-21(14-8-6-7-13(2)11-14)18(23)16-12-15(16)17(22)19-9-10-20(3)4/h6-8,11,15-16H,5,9-10,12H2,1-4H3,(H,19,22)
InChIKeySQNNCWPEQJMZGS-UHFFFAOYSA-N
XLogP1.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134131
2-N-butyl-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131399
1-N-ethyl-2-N-(3-methylbutyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139998
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147165
1-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137883
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137320
2-N-(3,4-dimethylphenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141736
2-N-(2-chlorophenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142859
1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143725
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143643
2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108994566
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109133808) is 2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide is CCN(C(=O)C1CC1C(=O)NCCN(C)C)c1cccc(C)c1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is SQNNCWPEQJMZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-21(14-8-6-7-13(2)11-14)18(23)16-12-15(16)17(22)19-9-10-20(3)4/h6-8,11,15-16H,5,9-10,12H2,1-4H3,(H,19,22).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).