1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide

C17H24N2O2 — CID 108975527

IUPAC1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-4-19(5-2)16(21)17(11-12-17)15(20)18(3)13-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3
InChIKeyKIQGVOBWABTBKL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.29
Rot. Bonds6

About 1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide

1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide (PubChem CID 108975527) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide
PubChem CID108975527
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-4-19(5-2)16(21)17(11-12-17)15(20)18(3)13-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3
InChIKeyKIQGVOBWABTBKL-UHFFFAOYSA-N
XLogP2.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975586
1-benzyl-1,3-diethyl-3-methylurea
CID 116654057
1-N'-benzyl-1-N-(2,4-dimethylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975549
1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 5018753
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-N-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975526
methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108975598
1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975622
1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976586
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide (CID 108975527) is 1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide is CCN(CC)C(=O)C1(C(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of 1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide?
The InChIKey is KIQGVOBWABTBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-19(5-2)16(21)17(11-12-17)15(20)18(3)13-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3.
What are the key properties of 1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide?
1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).