2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide

C18H27N3O5 — CID 109133790

IUPAC2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1cc(NC(=O)C2CC2C(=O)NCCN(C)C)cc(OC)c1OC
InChIInChI=1S/C18H27N3O5/c1-21(2)7-6-19-17(22)12-10-13(12)18(23)20-11-8-14(24-3)16(26-5)15(9-11)25-4/h8-9,12-13H,6-7,10H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyNCOCNYSKYMDSRE-UHFFFAOYSA-N
MW365.43 g/mol
LogP0.96
Rot. Bonds9

About 2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide

2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133790) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133790
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1cc(NC(=O)C2CC2C(=O)NCCN(C)C)cc(OC)c1OC
InChIInChI=1S/C18H27N3O5/c1-21(2)7-6-19-17(22)12-10-13(12)18(23)20-11-8-14(24-3)16(26-5)15(9-11)25-4/h8-9,12-13H,6-7,10H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyNCOCNYSKYMDSRE-UHFFFAOYSA-N
XLogP0.96
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)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-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755
2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109137440
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706
2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142121
2-N-[2-(dimethylamino)ethyl]-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133778
2-N-(pyridin-2-ylmethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136993
1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133807
methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109133766
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057
1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134103
(1R,2S,3S,4S)-3-[(3,4,5-trimethoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11922473
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109133790) is 2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide is COc1cc(NC(=O)C2CC2C(=O)NCCN(C)C)cc(OC)c1OC.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is NCOCNYSKYMDSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-21(2)7-6-19-17(22)12-10-13(12)18(23)20-11-8-14(24-3)16(26-5)15(9-11)25-4/h8-9,12-13H,6-7,10H2,1-5H3,(H,19,22)(H,20,23).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 365.43 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).