ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate

C18H24N2O4 — CID 37259431

IUPACethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-2-24-18(23)6-3-11-19-16(21)13-14-7-9-15(10-8-14)20-12-4-5-17(20)22/h7-10H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyGVDVVBPPNFQUBB-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.82
Rot. Bonds8

About ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate

ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate (PubChem CID 37259431) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate
PubChem CID37259431
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-2-24-18(23)6-3-11-19-16(21)13-14-7-9-15(10-8-14)20-12-4-5-17(20)22/h7-10H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyGVDVVBPPNFQUBB-UHFFFAOYSA-N
XLogP1.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[N-ethyl-N'-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]carbamimidoyl]amino]butanoate
CID 111413866
ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate
CID 60645837
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157169
ethyl 4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]butanoate
CID 134008850
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
[2-oxo-2-(pentylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 38901895
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8948642
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46486165
(2,3,6-trimethylphenyl) 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 26691155
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate?
The IUPAC name of ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate (CID 37259431) is ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate is CCOC(=O)CCCNC(=O)Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate?
The InChIKey is GVDVVBPPNFQUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-24-18(23)6-3-11-19-16(21)13-14-7-9-15(10-8-14)20-12-4-5-17(20)22/h7-10H,2-6,11-13H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate?
ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate has a molecular weight of 332.40 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate is sourced from PubChem (CID 37259431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).