3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide

C17H24N2O2 — CID 87841376

IUPAC3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCCC1C(C)CN(C(=O)NCCc2ccccc2)C1C=O
InChIInChI=1S/C17H24N2O2/c1-3-15-13(2)11-19(16(15)12-20)17(21)18-10-9-14-7-5-4-6-8-14/h4-8,12-13,15-16H,3,9-11H2,1-2H3,(H,18,21)
InChIKeyPOALCPYLXPDZQM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.48
Rot. Bonds5

About 3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide

3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 87841376) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID87841376
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCCC1C(C)CN(C(=O)NCCc2ccccc2)C1C=O
InChIInChI=1S/C17H24N2O2/c1-3-15-13(2)11-19(16(15)12-20)17(21)18-10-9-14-7-5-4-6-8-14/h4-8,12-13,15-16H,3,9-11H2,1-2H3,(H,18,21)
InChIKeyPOALCPYLXPDZQM-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
(3aR,6aS)-5-ethyl-6-oxo-2-(2-phenylethylcarbamoyl)-1,3,4,6a-tetrahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 56891921
3-methyl-1-(3-phenylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102781918
(3aS,6aR)-4,6-dioxo-5-(2-phenylethyl)-N-propyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
CID 91916022
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide
CID 71801351
(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62315406
2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 87841376) is 3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide is CCC1C(C)CN(C(=O)NCCc2ccccc2)C1C=O.
What is the InChIKey of 3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is POALCPYLXPDZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-15-13(2)11-19(16(15)12-20)17(21)18-10-9-14-7-5-4-6-8-14/h4-8,12-13,15-16H,3,9-11H2,1-2H3,(H,18,21).
What are the key properties of 3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-formyl-4-methyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 87841376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).