1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide

C18H25N3O2 — CID 138056644

IUPAC1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)NC2(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H25N3O2/c1-17(15(22)19-2)10-11-21(13-17)16(23)20-18(8-9-18)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUROCTKUOGYJQNZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.93
Rot. Bonds4

About 1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide

1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide (PubChem CID 138056644) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
PubChem CID138056644
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)NC2(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H25N3O2/c1-17(15(22)19-2)10-11-21(13-17)16(23)20-18(8-9-18)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUROCTKUOGYJQNZ-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
CID 106319264
1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 106320604
1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317438
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
CID 106103750
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 106320575
(2S)-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 106320831
N-methyl-1-(2-phenylacetyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982862
3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
1-[2-(4-cyanophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151787

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide (CID 138056644) is 1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide is CNC(=O)C1(C)CCN(C(=O)NC2(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide?
The InChIKey is UROCTKUOGYJQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-17(15(22)19-2)10-11-21(13-17)16(23)20-18(8-9-18)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide?
1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 138056644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).