1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide

C17H24N2O2 — CID 109131692

IUPAC1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C17H24N2O2/c1-5-12(4)18-16(20)13-9-14(13)17(21)19-15-8-10(2)6-7-11(15)3/h6-8,12-14H,5,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyURPJHHVTBOENJM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds5

About 1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide

1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109131692) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109131692
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C17H24N2O2/c1-5-12(4)18-16(20)13-9-14(13)17(21)19-15-8-10(2)6-7-11(15)3/h6-8,12-14H,5,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyURPJHHVTBOENJM-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butan-2-yl-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131774
1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131780
1-N-(2,5-dimethylphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141010
1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109141610
1-N-(2,5-dimethylphenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141591
2-N-(4-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141603
2-N-(4-chlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141594
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
1-[(2S)-butan-2-yl]-3-(2,5-dimethylphenyl)thiourea
CID 8015111
ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131782
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140395
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141595

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109131692) is 1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide is CCC(C)NC(=O)C1CC1C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is URPJHHVTBOENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-12(4)18-16(20)13-9-14(13)17(21)19-15-8-10(2)6-7-11(15)3/h6-8,12-14H,5,9H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.79, 5 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-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).