N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide

C17H25N3O2 — CID 86984501

IUPACN-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-19(4-2)16(21)15-9-7-14(8-10-15)13-18-17(22)20-11-5-6-12-20/h7-10H,3-6,11-13H2,1-2H3,(H,18,22)
InChIKeyZSPIFVTVJSEAMF-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.47
Rot. Bonds5

About N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide

N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 86984501) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID86984501
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-19(4-2)16(21)15-9-7-14(8-10-15)13-18-17(22)20-11-5-6-12-20/h7-10H,3-6,11-13H2,1-2H3,(H,18,22)
InChIKeyZSPIFVTVJSEAMF-UHFFFAOYSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide
CID 47755944
4-(4-chlorophenyl)sulfonyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
CID 55795812
N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide
CID 136525157
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
N-benzylazonane-1-carboxamide
CID 130689649
N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 79161738
N-[(4-carbamimidoylphenyl)methyl]piperidine-1-carboxamide
CID 79155826
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
4-[[[(2S)-2-aminopropanoyl]amino]methyl]-N,N-diethylbenzamide
CID 119283561
4-[[4-(diethylcarbamoyl)anilino]methyl]benzoic acid
CID 122033517
4-[[[N-[3-(azepan-1-yl)propyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 111325431
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 87003296

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 86984501) is N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide is CCN(CC)C(=O)c1ccc(CNC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is ZSPIFVTVJSEAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-19(4-2)16(21)15-9-7-14(8-10-15)13-18-17(22)20-11-5-6-12-20/h7-10H,3-6,11-13H2,1-2H3,(H,18,22).
What are the key properties of N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide?
N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86984501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).