1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide

C17H24N2O4 — CID 109130474

IUPAC1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
SMILESCCCNC(=O)C1CC1C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H24N2O4/c1-4-7-18-16(20)12-9-13(12)17(21)19-10-11-5-6-14(22-2)15(8-11)23-3/h5-6,8,12-13H,4,7,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGRPMZIYXZABETF-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.48
Rot. Bonds8

About 1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide

1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide (PubChem CID 109130474) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
PubChem CID109130474
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
SMILESCCCNC(=O)C1CC1C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H24N2O4/c1-4-7-18-16(20)12-9-13(12)17(21)19-10-11-5-6-14(22-2)15(8-11)23-3/h5-6,8,12-13H,4,7,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGRPMZIYXZABETF-UHFFFAOYSA-N
XLogP1.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109138681
N-[(3,4-dimethoxyphenyl)methyl]-2-iodocyclopropane-1-carboxamide
CID 78158837
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
1-N-cyclohexyl-2-N-[(3,4-dimethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132413
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109136757
trans-(1S,2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6957823
2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109131241
(1S,2S,3S,4R)-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11922455
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109138571
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138589
2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975519

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide (CID 109130474) is 1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide is CCCNC(=O)C1CC1C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide?
The InChIKey is GRPMZIYXZABETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-7-18-16(20)12-9-13(12)17(21)19-10-11-5-6-14(22-2)15(8-11)23-3/h5-6,8,12-13H,4,7,9-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide?
1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109130474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).