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

C14H20N2O2 — CID 114486964

IUPAC4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCC1(c2ccc(OC)cc2)CNCC1C(N)=O
InChIInChI=1S/C14H20N2O2/c1-3-14(9-16-8-12(14)13(15)17)10-4-6-11(18-2)7-5-10/h4-7,12,16H,3,8-9H2,1-2H3,(H2,15,17)
InChIKeyFAPOVDBVDOOEKT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.05
Rot. Bonds4

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

4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 114486964) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID114486964
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCC1(c2ccc(OC)cc2)CNCC1C(N)=O
InChIInChI=1S/C14H20N2O2/c1-3-14(9-16-8-12(14)13(15)17)10-4-6-11(18-2)7-5-10/h4-7,12,16H,3,8-9H2,1-2H3,(H2,15,17)
InChIKeyFAPOVDBVDOOEKT-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-ethyl-4-(4-methylphenyl)pyrrolidine-3-carboxylate
CID 114486738
(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
CID 105445465
ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate
CID 97357628
(3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 155019919
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
(2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxamide;hydrochloride
CID 67585336
propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate
CID 20544109
2,2-diethyl-6-(4-methoxyphenyl)morpholine
CID 65102002
(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 129362220
2-ethyl-6-(4-methoxyphenyl)-2-methylmorpholine
CID 65101719
1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463
methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate
CID 114486449

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide (CID 114486964) is 4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide is CCC1(c2ccc(OC)cc2)CNCC1C(N)=O.
What is the InChIKey of 4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is FAPOVDBVDOOEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-14(9-16-8-12(14)13(15)17)10-4-6-11(18-2)7-5-10/h4-7,12,16H,3,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114486964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).