2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide

C19H21N3O3 — CID 167848010

IUPAC2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(-c2ccc(CNC3CCNC3=O)cc2)cc1
InChIInChI=1S/C19H21N3O3/c20-18(23)12-25-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-22-17-9-10-21-19(17)24/h1-8,17,22H,9-12H2,(H2,20,23)(H,21,24)
InChIKeyLHNHUGBGPKMZRP-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.20
Rot. Bonds7

About 2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide

2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide (PubChem CID 167848010) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide
PubChem CID167848010
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(-c2ccc(CNC3CCNC3=O)cc2)cc1
InChIInChI=1S/C19H21N3O3/c20-18(23)12-25-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-22-17-9-10-21-19(17)24/h1-8,17,22H,9-12H2,(H2,20,23)(H,21,24)
InChIKeyLHNHUGBGPKMZRP-UHFFFAOYSA-N
XLogP1.20
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl] carbamate
CID 175375600
2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
3-[(4-butoxyphenyl)methylamino]azepan-2-one
CID 43687950
2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide
CID 60958128
2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 43216337
2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
CID 130340818
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 106125082
2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide
CID 95380298
3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]azepan-2-one
CID 11267874
N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 56796707
(3S)-3-[[4-(trifluoromethoxy)phenyl]methylamino]azepan-2-one
CID 93043985
2-(4-piperidin-3-ylphenoxy)acetamide
CID 117100144

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide (CID 167848010) is 2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide is NC(=O)COc1ccc(-c2ccc(CNC3CCNC3=O)cc2)cc1.
What is the InChIKey of 2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide?
The InChIKey is LHNHUGBGPKMZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-18(23)12-25-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-22-17-9-10-21-19(17)24/h1-8,17,22H,9-12H2,(H2,20,23)(H,21,24).
What are the key properties of 2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide?
2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide is sourced from PubChem (CID 167848010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).