N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C14H19N3O2 — CID 55148926

IUPACN-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C14H19N3O2/c1-17(2)14(19)10-4-3-5-12(8-10)16-13(18)11-6-7-15-9-11/h3-5,8,11,15H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyVUNRFNVIFCUOLZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.94
Rot. Bonds3

About N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55148926) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55148926
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C14H19N3O2/c1-17(2)14(19)10-4-3-5-12(8-10)16-13(18)11-6-7-15-9-11/h3-5,8,11,15H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyVUNRFNVIFCUOLZ-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43709947
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119747432
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-(3-benzoylphenyl)piperidine-3-carboxamide
CID 119279700
N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 33249573
N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119283131

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 55148926) is N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CN(C)C(=O)c1cccc(NC(=O)C2CCNC2)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is VUNRFNVIFCUOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(2)14(19)10-4-3-5-12(8-10)16-13(18)11-6-7-15-9-11/h3-5,8,11,15H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55148926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).