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

C16H20N4O2 — CID 109133807

IUPAC1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCN(C)CCNC(=O)C1CC1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H20N4O2/c1-20(2)8-7-18-15(21)13-9-14(13)16(22)19-12-5-3-11(10-17)4-6-12/h3-6,13-14H,7-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRLJJEBBNSRTYMR-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.81
Rot. Bonds6

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

1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109133807) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109133807
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCN(C)CCNC(=O)C1CC1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H20N4O2/c1-20(2)8-7-18-15(21)13-9-14(13)16(22)19-12-5-3-11(10-17)4-6-12/h3-6,13-14H,7-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRLJJEBBNSRTYMR-UHFFFAOYSA-N
XLogP0.81
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108519474
4-N-(4-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147350
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057
1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133953
N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960346
2-N-[2-(dimethylamino)ethyl]-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133778
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738
1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133726
2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109133790

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide (CID 109133807) is 1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide is CN(C)CCNC(=O)C1CC1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is RLJJEBBNSRTYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20(2)8-7-18-15(21)13-9-14(13)16(22)19-12-5-3-11(10-17)4-6-12/h3-6,13-14H,7-9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).