3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide

C14H20N2O2 — CID 63140483

IUPAC3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(OC)cc2)CCNC1
InChIInChI=1S/C14H20N2O2/c1-3-14(8-9-15-10-14)13(17)16-11-4-6-12(18-2)7-5-11/h4-7,15H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyVBLLYJALFZESTG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.02
Rot. Bonds4

About 3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide

3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 63140483) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID63140483
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(OC)cc2)CCNC1
InChIInChI=1S/C14H20N2O2/c1-3-14(8-9-15-10-14)13(17)16-11-4-6-12(18-2)7-5-11/h4-7,15H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyVBLLYJALFZESTG-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 84727286
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate
CID 63141450
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139535
3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide
CID 63139566
3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide
CID 63139072
5-[(3-ethylpyrrolidine-3-carbonyl)amino]-2-fluorobenzoic acid
CID 63139894
3-ethyl-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
CID 63132813
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide (CID 63140483) is 3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2ccc(OC)cc2)CCNC1.
What is the InChIKey of 3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is VBLLYJALFZESTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-14(8-9-15-10-14)13(17)16-11-4-6-12(18-2)7-5-11/h4-7,15H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63140483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).