1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide

C23H42N2O2 — CID 11111655

IUPAC1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide
SMILESCCCCN(CCCC)C(=O)C1=C(C(=O)N(CCCC)CCCC)C1(C)C
InChIInChI=1S/C23H42N2O2/c1-7-11-15-24(16-12-8-2)21(26)19-20(23(19,5)6)22(27)25(17-13-9-3)18-14-10-4/h7-18H2,1-6H3
InChIKeyGTWNDLUEJDFPSD-UHFFFAOYSA-N
MW378.60 g/mol
LogP5.18
Rot. Bonds14

About 1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide

1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide (PubChem CID 11111655) has the molecular formula C23H42N2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide
PubChem CID11111655
Molecular FormulaC23H42N2O2
Molecular Weight378.60 g/mol
Exact Mass378.32
IUPAC Name1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide
SMILESCCCCN(CCCC)C(=O)C1=C(C(=O)N(CCCC)CCCC)C1(C)C
InChIInChI=1S/C23H42N2O2/c1-7-11-15-24(16-12-8-2)21(26)19-20(23(19,5)6)22(27)25(17-13-9-3)18-14-10-4/h7-18H2,1-6H3
InChIKeyGTWNDLUEJDFPSD-UHFFFAOYSA-N
XLogP5.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142843547
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CID 63754248
5-bromo-N,N-dibutyl-2-methyl-1H-imidazole-4-carboxamide
CID 123993570
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
N,N-dibutylcarbamoyl chloride;hydrochloride
CID 141018315
N,N-dibutyl-4-methoxybenzamide
CID 2163395
4-amino-N-butyl-N-propylbenzamide
CID 127119640
N-butyl-3,5-dimethyl-N-propylbenzamide;ethane
CID 142843546
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
2-bromo-N,N-dibutylbenzamide
CID 2843235

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide?
The IUPAC name of 1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide (CID 11111655) is 1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide is CCCCN(CCCC)C(=O)C1=C(C(=O)N(CCCC)CCCC)C1(C)C.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide?
The InChIKey is GTWNDLUEJDFPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O2/c1-7-11-15-24(16-12-8-2)21(26)19-20(23(19,5)6)22(27)25(17-13-9-3)18-14-10-4/h7-18H2,1-6H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide?
1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide has a molecular weight of 378.60 g/mol, XLogP of 5.18, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetrabutyl-3,3-dimethylcyclopropene-1,2-dicarboxamide is sourced from PubChem (CID 11111655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).