3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide

C18H29N3O — CID 72844192

IUPAC3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C18H29N3O/c1-6-20(7-2)16-8-9-21(12-16)18(22)19-17-14(4)10-13(3)11-15(17)5/h10-11,16H,6-9,12H2,1-5H3,(H,19,22)
InChIKeyOWUDTRTUIWEBCW-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.56
Rot. Bonds4

About 3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide

3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide (PubChem CID 72844192) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide
PubChem CID72844192
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C18H29N3O/c1-6-20(7-2)16-8-9-21(12-16)18(22)19-17-14(4)10-13(3)11-15(17)5/h10-11,16H,6-9,12H2,1-5H3,(H,19,22)
InChIKeyOWUDTRTUIWEBCW-UHFFFAOYSA-N
XLogP3.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 86794429
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide
CID 23140142
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110441497
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
CID 108987995
4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110801
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115663003
3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 71992527
[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 86785879
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111798574
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide (CID 72844192) is 3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide is CCN(CC)C1CCN(C(=O)Nc2c(C)cc(C)cc2C)C1.
What is the InChIKey of 3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is OWUDTRTUIWEBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-6-20(7-2)16-8-9-21(12-16)18(22)19-17-14(4)10-13(3)11-15(17)5/h10-11,16H,6-9,12H2,1-5H3,(H,19,22).
What are the key properties of 3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide?
3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72844192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).