ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate

C16H22N2O3 — CID 61062260

IUPACethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
SMILESCCOC(=O)CCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)9-8-15(19)17-13-6-5-7-14(12-13)18-10-3-4-11-18/h5-7,12H,2-4,8-11H2,1H3,(H,17,19)
InChIKeyFUEUXESKQTXYIP-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.57
Rot. Bonds6

About ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate

ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate (PubChem CID 61062260) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
PubChem CID61062260
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
SMILESCCOC(=O)CCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)9-8-15(19)17-13-6-5-7-14(12-13)18-10-3-4-11-18/h5-7,12H,2-4,8-11H2,1H3,(H,17,19)
InChIKeyFUEUXESKQTXYIP-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 55814159
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)-4-pyrrolidin-1-ylanilino]butanoate
CID 42751125
N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide
CID 126839368

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate?
The IUPAC name of ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate (CID 61062260) is ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate.
What is the SMILES notation for ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate?
The canonical SMILES for ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate is CCOC(=O)CCC(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate?
The InChIKey is FUEUXESKQTXYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-16(20)9-8-15(19)17-13-6-5-7-14(12-13)18-10-3-4-11-18/h5-7,12H,2-4,8-11H2,1H3,(H,17,19).
What are the key properties of ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate?
ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate has a molecular weight of 290.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate is sourced from PubChem (CID 61062260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).