5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one

C13H18N2O2 — CID 107529293

IUPAC5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one
SMILESCCOc1cccc(NCC2CCC(=O)N2)c1
InChIInChI=1S/C13H18N2O2/c1-2-17-12-5-3-4-10(8-12)14-9-11-6-7-13(16)15-11/h3-5,8,11,14H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyDNQWUASAEXBFAS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.78
Rot. Bonds5

About 5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one

5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one (PubChem CID 107529293) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one
PubChem CID107529293
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one
SMILESCCOc1cccc(NCC2CCC(=O)N2)c1
InChIInChI=1S/C13H18N2O2/c1-2-17-12-5-3-4-10(8-12)14-9-11-6-7-13(16)15-11/h3-5,8,11,14H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyDNQWUASAEXBFAS-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855539
5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 107529033
N-tert-butyl-3-ethoxyaniline
CID 58745523
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637941
3-ethoxy-N-propylaniline
CID 54800867
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethoxyaniline
CID 79222550
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
5-[(3-bromo-4-chloroanilino)methyl]pyrrolidin-2-one
CID 107529688
5-[(3-amino-5-methylanilino)methyl]pyrrolidin-2-one
CID 112647859
5-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]pyrrolidin-2-one
CID 107529260
5-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]pyrrolidin-2-one
CID 107530273

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one (CID 107529293) is 5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one is CCOc1cccc(NCC2CCC(=O)N2)c1.
What is the InChIKey of 5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one?
The InChIKey is DNQWUASAEXBFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-12-5-3-4-10(8-12)14-9-11-6-7-13(16)15-11/h3-5,8,11,14H,2,6-7,9H2,1H3,(H,15,16).
What are the key properties of 5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one?
5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).