N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide

C14H19N3O2 — CID 47198823

IUPACN-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H19N3O2/c1-16(2)13(18)11-5-7-12(8-6-11)15-14(19)17-9-3-4-10-17/h5-8H,3-4,9-10H2,1-2H3,(H,15,19)
InChIKeyLFINFLXIMXTJCI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.02
Rot. Bonds2

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

N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 47198823) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID47198823
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H19N3O2/c1-16(2)13(18)11-5-7-12(8-6-11)15-14(19)17-9-3-4-10-17/h5-8H,3-4,9-10H2,1-2H3,(H,15,19)
InChIKeyLFINFLXIMXTJCI-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 39732858
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N-(4-bromophenyl)azocane-1-carboxamide
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N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 136562477
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide
CID 110178664
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51085603
propyl 4-(piperidine-1-carbonylamino)benzoate
CID 79156721
4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
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CID 61339985

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide (CID 47198823) is N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide is CN(C)C(=O)c1ccc(NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is LFINFLXIMXTJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(2)13(18)11-5-7-12(8-6-11)15-14(19)17-9-3-4-10-17/h5-8H,3-4,9-10H2,1-2H3,(H,15,19).
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47198823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).