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

C19H29N3O2 — CID 109133726

IUPAC1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC1C(=O)NCCN(C)C
InChIInChI=1S/C19H29N3O2/c1-5-13-8-7-9-14(6-2)17(13)21-19(24)16-12-15(16)18(23)20-10-11-22(3)4/h7-9,15-16H,5-6,10-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyNJELNYXBYPOXNK-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.06
Rot. Bonds8

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

1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109133726) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109133726
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC1C(=O)NCCN(C)C
InChIInChI=1S/C19H29N3O2/c1-5-13-8-7-9-14(6-2)17(13)21-19(24)16-12-15(16)18(23)20-10-11-22(3)4/h7-9,15-16H,5-6,10-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyNJELNYXBYPOXNK-UHFFFAOYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133722
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133719
1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132998
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
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
2-N-cyclopropyl-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130924
4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045787
1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135803
1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133807
1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109133696
2-N-[2-(dimethylamino)ethyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133639

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide (CID 109133726) is 1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide is CCc1cccc(CC)c1NC(=O)C1CC1C(=O)NCCN(C)C.
What is the InChIKey of 1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is NJELNYXBYPOXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-13-8-7-9-14(6-2)17(13)21-19(24)16-12-15(16)18(23)20-10-11-22(3)4/h7-9,15-16H,5-6,10-12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).