3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide

C14H20N2O — CID 63140580

IUPAC3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(C)c2ccccc2)CCNC1
InChIInChI=1S/C14H20N2O/c1-3-14(9-10-15-11-14)13(17)16(2)12-7-5-4-6-8-12/h4-8,15H,3,9-11H2,1-2H3
InChIKeyBCXIPMDEEAQBQR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.04
Rot. Bonds3

About 3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide

3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide (PubChem CID 63140580) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
PubChem CID63140580
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(C)c2ccccc2)CCNC1
InChIInChI=1S/C14H20N2O/c1-3-14(9-10-15-11-14)13(17)16(2)12-7-5-4-6-8-12/h4-8,15H,3,9-11H2,1-2H3
InChIKeyBCXIPMDEEAQBQR-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-(3-fluorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 63142338
N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide
CID 63138343
N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63138591
4-ethyl-N-(2-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 63129012
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948885
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140326
N,3-diethyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 63131546
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide
CID 112659335

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide (CID 63140580) is 3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide is CCC1(C(=O)N(C)c2ccccc2)CCNC1.
What is the InChIKey of 3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is BCXIPMDEEAQBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-14(9-10-15-11-14)13(17)16(2)12-7-5-4-6-8-12/h4-8,15H,3,9-11H2,1-2H3.
What are the key properties of 3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide?
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).