N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C23H29N3O2 — CID 119440918

IUPACN-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C23H29N3O2/c1-4-24-15-18-7-5-6-8-21(18)25-22(27)20-13-14-26(23(20)28)19-11-9-17(10-12-19)16(2)3/h5-12,16,20,24H,4,13-15H2,1-3H3,(H,25,27)
InChIKeySGJNYIYXRRMYNW-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.91
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 119440918) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID119440918
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C23H29N3O2/c1-4-24-15-18-7-5-6-8-21(18)25-22(27)20-13-14-26(23(20)28)19-11-9-17(10-12-19)16(2)3/h5-12,16,20,24H,4,13-15H2,1-3H3,(H,25,27)
InChIKeySGJNYIYXRRMYNW-UHFFFAOYSA-N
XLogP3.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119439813
N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119422849
N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119422848
N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 20964176
N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42853497
N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46048508
N-[3-(aminomethyl)pentan-3-yl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119572133
N-(3-aminopropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119409081
(3R)-1-(4-ethylphenyl)-N-[(2-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 95056101
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 119547074
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide
CID 54938600
4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119439439

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 119440918) is N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CCNCc1ccccc1NC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SGJNYIYXRRMYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-24-15-18-7-5-6-8-21(18)25-22(27)20-13-14-26(23(20)28)19-11-9-17(10-12-19)16(2)3/h5-12,16,20,24H,4,13-15H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119440918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).