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

C17H24ClN3O2 — CID 109133673

IUPAC2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCN(C)CCNC(=O)C1CC1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2/c1-21(2)10-9-20-17(23)15-11-14(15)16(22)19-8-7-12-3-5-13(18)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGUMQNUVRIOYBJJ-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.31
Rot. Bonds8

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

2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109133673) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109133673
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCN(C)CCNC(=O)C1CC1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2/c1-21(2)10-9-20-17(23)15-11-14(15)16(22)19-8-7-12-3-5-13(18)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGUMQNUVRIOYBJJ-UHFFFAOYSA-N
XLogP1.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(dimethylamino)propyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133985
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057
1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138655
2-N-[2-(4-chlorophenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138633
2-N-[2-(4-chlorophenyl)ethyl]-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136180
1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108891914
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
3,4-bis[2-(4-chlorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961386
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide (CID 109133673) is 2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide is CN(C)CCNC(=O)C1CC1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is GUMQNUVRIOYBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-21(2)10-9-20-17(23)15-11-14(15)16(22)19-8-7-12-3-5-13(18)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 337.85 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).