1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide

C20H30N2O2 — CID 109139811

IUPAC1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C20H30N2O2/c1-5-6-12-21(4)19(23)17-13-18(17)20(24)22(15(2)3)14-16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3
InChIKeyPFVOZLCJKJXVIZ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.32
Rot. Bonds8

About 1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide (PubChem CID 109139811) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
PubChem CID109139811
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C20H30N2O2/c1-5-6-12-21(4)19(23)17-13-18(17)20(24)22(15(2)3)14-16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3
InChIKeyPFVOZLCJKJXVIZ-UHFFFAOYSA-N
XLogP3.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812
N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131864
6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109099313
2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
CID 109140121
1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109139840
1-N-benzyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137207
2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64818125
1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109140200
4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149705
N-benzyl-N-propan-2-ylacetamide
CID 23534449
1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139859

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide (CID 109139811) is 1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide is CCCCN(C)C(=O)C1CC1C(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of 1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The InChIKey is PFVOZLCJKJXVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-5-6-12-21(4)19(23)17-13-18(17)20(24)22(15(2)3)14-16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3.
What are the key properties of 1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).