1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide

C21H32N2O2 — CID 109131764

IUPAC1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H32N2O2/c1-7-14(6)22-20(24)17-11-18(17)21(25)23-19-15(12(2)3)9-8-10-16(19)13(4)5/h8-10,12-14,17-18H,7,11H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyKSISRGFYHFWTOT-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.42
Rot. Bonds7

About 1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide

1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109131764) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109131764
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H32N2O2/c1-7-14(6)22-20(24)17-11-18(17)21(25)23-19-15(12(2)3)9-8-10-16(19)13(4)5/h8-10,12-14,17-18H,7,11H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyKSISRGFYHFWTOT-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130984
1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131711
2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109135109
1-N-butan-2-yl-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131727
1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131692
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130528
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140356
N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide
CID 108958316
1-N-[2,6-di(propan-2-yl)phenyl]-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135996
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-N-butan-2-yl-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131774
ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131782

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109131764) is 1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide is CCC(C)NC(=O)C1CC1C(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is KSISRGFYHFWTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-7-14(6)22-20(24)17-11-18(17)21(25)23-19-15(12(2)3)9-8-10-16(19)13(4)5/h8-10,12-14,17-18H,7,11H2,1-6H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide?
1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).