N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide

C15H20N2O3 — CID 108942054

IUPACN-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-20-13-7-5-12(6-8-13)16-14(18)11-15(19)17-9-3-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyDDBNJORDILJIPV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.04
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide

N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide (PubChem CID 108942054) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
PubChem CID108942054
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-20-13-7-5-12(6-8-13)16-14(18)11-15(19)17-9-3-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyDDBNJORDILJIPV-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950910
N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 2976563
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
N-(4-ethoxyphenyl)-3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropanamide
CID 95197913
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
3-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]-3-oxopropanamide
CID 108952723
3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944957
ethyl 4-[3-(4-acetamidoanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950364
3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944606

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide (CID 108942054) is N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide is CCOc1ccc(NC(=O)CC(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide?
The InChIKey is DDBNJORDILJIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-13-7-5-12(6-8-13)16-14(18)11-15(19)17-9-3-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide?
N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108942054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).