1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

C17H24N2O2 — CID 46994186

IUPAC1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCCCCN(Cc1ccccc1C)C(=O)C1(C(N)=O)CC1
InChIInChI=1S/C17H24N2O2/c1-3-4-11-19(12-14-8-6-5-7-13(14)2)16(21)17(9-10-17)15(18)20/h5-8H,3-4,9-12H2,1-2H3,(H2,18,20)
InChIKeyYTSSJUWQMNBWIJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.39
Rot. Bonds7

About 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 46994186) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID46994186
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCCCCN(Cc1ccccc1C)C(=O)C1(C(N)=O)CC1
InChIInChI=1S/C17H24N2O2/c1-3-4-11-19(12-14-8-6-5-7-13(14)2)16(21)17(9-10-17)15(18)20/h5-8H,3-4,9-12H2,1-2H3,(H2,18,20)
InChIKeyYTSSJUWQMNBWIJ-UHFFFAOYSA-N
XLogP2.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 42793649
1-[butyl(ethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097468
1,1-di(tetradecyl)urea;1,2-xylene
CID 66809086
N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 80589974
2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78787410
2-[[butyl(methyl)amino]methyl]benzamide
CID 82040849
1-carbamothioyl-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588928
N-(2-bromoethyl)-N-butyl-3-(2-methylphenyl)propanamide
CID 80659752
(2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134703136
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
1-butyl-1-[(2,3-dichlorophenyl)methyl]urea
CID 118625499
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350

Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 46994186) is 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is CCCCN(Cc1ccccc1C)C(=O)C1(C(N)=O)CC1.
What is the InChIKey of 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is YTSSJUWQMNBWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-4-11-19(12-14-8-6-5-7-13(14)2)16(21)17(9-10-17)15(18)20/h5-8H,3-4,9-12H2,1-2H3,(H2,18,20).
What are the key properties of 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 46994186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).