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

C17H25N3O4 — CID 109133755

IUPAC1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)NCCN(C)C)cc1OC
InChIInChI=1S/C17H25N3O4/c1-20(2)8-7-18-16(21)12-10-13(12)17(22)19-11-5-6-14(23-3)15(9-11)24-4/h5-6,9,12-13H,7-8,10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyBNXYBCQASOPUPF-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.96
Rot. Bonds8

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

1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109133755) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109133755
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)NCCN(C)C)cc1OC
InChIInChI=1S/C17H25N3O4/c1-20(2)8-7-18-16(21)12-10-13(12)17(22)19-11-5-6-14(23-3)15(9-11)24-4/h5-6,9,12-13H,7-8,10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyBNXYBCQASOPUPF-UHFFFAOYSA-N
XLogP0.96
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109133790
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706
2-N-[2-(dimethylamino)ethyl]-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133778
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
N-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960294
1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133807
1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135831
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138589
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885
2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141860
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide (CID 109133755) is 1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide is COc1ccc(NC(=O)C2CC2C(=O)NCCN(C)C)cc1OC.
What is the InChIKey of 1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is BNXYBCQASOPUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-20(2)8-7-18-16(21)12-10-13(12)17(22)19-11-5-6-14(23-3)15(9-11)24-4/h5-6,9,12-13H,7-8,10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 335.40 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).