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

C16H23N3O2 — CID 108973473

IUPAC1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)NCCN(C)C)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12-4-6-13(7-5-12)18-15(21)16(8-9-16)14(20)17-10-11-19(2)3/h4-7H,8-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyIAKULRXPJGCRNX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.39
Rot. Bonds6

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

1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108973473) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108973473
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)NCCN(C)C)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12-4-6-13(7-5-12)18-15(21)16(8-9-16)14(20)17-10-11-19(2)3/h4-7H,8-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyIAKULRXPJGCRNX-UHFFFAOYSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973858
1-N'-(3,4-difluorophenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973898
1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973872
1-N'-[4-(dimethylamino)phenyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979700
1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975302
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973512
ethyl 4-[[1-[(4-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108980918
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978264
1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973517
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971181
1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977531
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108973473) is 1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide is Cc1ccc(NC(=O)C2(C(=O)NCCN(C)C)CC2)cc1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is IAKULRXPJGCRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-4-6-13(7-5-12)18-15(21)16(8-9-16)14(20)17-10-11-19(2)3/h4-7H,8-11H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).