2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide

C18H26N2O3 — CID 51093134

IUPAC2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
SMILESCCOC(CC)C(=O)NCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C18H26N2O3/c1-3-16(23-4-2)18(22)19-13-14-8-7-9-15(12-14)20-11-6-5-10-17(20)21/h7-9,12,16H,3-6,10-11,13H2,1-2H3,(H,19,22)
InChIKeyBLOYPVMIAZPAOW-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.63
Rot. Bonds7

About 2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide

2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide (PubChem CID 51093134) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
PubChem CID51093134
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
SMILESCCOC(CC)C(=O)NCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C18H26N2O3/c1-3-16(23-4-2)18(22)19-13-14-8-7-9-15(12-14)20-11-6-5-10-17(20)21/h7-9,12,16H,3-6,10-11,13H2,1-2H3,(H,19,22)
InChIKeyBLOYPVMIAZPAOW-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 94669760
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
(2R)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide
CID 51956530
2-amino-2-(4-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 120667367
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide?
The IUPAC name of 2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide (CID 51093134) is 2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide?
The canonical SMILES for 2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide is CCOC(CC)C(=O)NCc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of 2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide?
The InChIKey is BLOYPVMIAZPAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-16(23-4-2)18(22)19-13-14-8-7-9-15(12-14)20-11-6-5-10-17(20)21/h7-9,12,16H,3-6,10-11,13H2,1-2H3,(H,19,22).
What are the key properties of 2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide?
2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide has a molecular weight of 318.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 51093134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).