ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate

C15H19N3O4 — CID 110179174

IUPACethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H19N3O4/c1-2-22-15(21)17-12-7-5-11(6-8-12)16-13(19)14(20)18-9-3-4-10-18/h5-8H,2-4,9-10H2,1H3,(H,16,19)(H,17,21)
InChIKeyZPAQSRGAQJLKSK-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.82
Rot. Bonds3

About ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate

ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate (PubChem CID 110179174) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate
PubChem CID110179174
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Nameethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H19N3O4/c1-2-22-15(21)17-12-7-5-11(6-8-12)16-13(19)14(20)18-9-3-4-10-18/h5-8H,2-4,9-10H2,1H3,(H,16,19)(H,17,21)
InChIKeyZPAQSRGAQJLKSK-UHFFFAOYSA-N
XLogP1.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)acetyl]piperidine-4-carboxylate
CID 108504241
2-(azepan-1-yl)-N-(4-butylphenyl)-2-oxoacetamide
CID 108502414
ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
CID 44999677
ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
CID 2250451
methyl (3S)-3-[[4-(ethoxycarbonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95593872
2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 108508300
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 108511608
ethyl 1-[2-(4-cyanoanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108519415
ethyl 1-[2-(4-butylanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108502335
ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate
CID 108504159
ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
CID 23276159

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate (CID 110179174) is ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCCC2)cc1.
What is the InChIKey of ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate?
The InChIKey is ZPAQSRGAQJLKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-22-15(21)17-12-7-5-11(6-8-12)16-13(19)14(20)18-9-3-4-10-18/h5-8H,2-4,9-10H2,1H3,(H,16,19)(H,17,21).
What are the key properties of ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate?
ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate has a molecular weight of 305.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate is sourced from PubChem (CID 110179174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).