1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

C17H24N2O2 — CID 108971384

IUPAC1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)NCc2cccc(C)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-4-13(3)19-16(21)17(8-9-17)15(20)18-11-14-7-5-6-12(2)10-14/h5-7,10,13H,4,8-9,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRCMSVTJYXVYYLZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.31
Rot. Bonds6

About 1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108971384) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108971384
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)NCc2cccc(C)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-4-13(3)19-16(21)17(8-9-17)15(20)18-11-14-7-5-6-12(2)10-14/h5-7,10,13H,4,8-9,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRCMSVTJYXVYYLZ-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(3-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970412
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
1-[(3-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096961
1-N-[(4-fluorophenyl)methyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975053
1-N'-tert-butyl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975092
N'-butan-2-yl-N-[(3-methylphenyl)methyl]propanediamide
CID 108941756
1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975122
1-N-[(3-methylphenyl)methyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975121
1-N'-(2,6-difluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975193
N-[(3-methylphenyl)methyl]-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973043
1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108973731
1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907173

Frequently Asked Questions

What is the IUPAC name of 1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108971384) is 1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is CCC(C)NC(=O)C1(C(=O)NCc2cccc(C)c2)CC1.
What is the InChIKey of 1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is RCMSVTJYXVYYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-13(3)19-16(21)17(8-9-17)15(20)18-11-14-7-5-6-12(2)10-14/h5-7,10,13H,4,8-9,11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.31, 6 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-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).