N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

C17H22N2O2 — CID 109131814

IUPACN-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC1C(=O)N1CCCC1
InChIInChI=1S/C17H22N2O2/c1-18(12-13-7-3-2-4-8-13)16(20)14-11-15(14)17(21)19-9-5-6-10-19/h2-4,7-8,14-15H,5-6,9-12H2,1H3
InChIKeyJKOZHOIJIOXKRR-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.90
Rot. Bonds4

About N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109131814) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109131814
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC1C(=O)N1CCCC1
InChIInChI=1S/C17H22N2O2/c1-18(12-13-7-3-2-4-8-13)16(20)14-11-15(14)17(21)19-9-5-6-10-19/h2-4,7-8,14-15H,5-6,9-12H2,1H3
InChIKeyJKOZHOIJIOXKRR-UHFFFAOYSA-N
XLogP1.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132195
N-benzyl-2-(4-ethylpiperazine-1-carbonyl)-N-methylcyclopropane-1-carboxamide
CID 109134323
N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131864
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 109138082
N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136754
2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
CID 109140121
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
N-(2-phenylethyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132207
1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135803
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109131814) is N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is CN(Cc1ccccc1)C(=O)C1CC1C(=O)N1CCCC1.
What is the InChIKey of N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is JKOZHOIJIOXKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18(12-13-7-3-2-4-8-13)16(20)14-11-15(14)17(21)19-9-5-6-10-19/h2-4,7-8,14-15H,5-6,9-12H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109131814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).