(3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H26N2O5 — CID 125135627

IUPAC(3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)NCC2(CO)CCOCC2)CC1=O
InChIInChI=1S/C19H26N2O5/c1-25-16-5-3-2-4-15(16)21-11-14(10-17(21)23)18(24)20-12-19(13-22)6-8-26-9-7-19/h2-5,14,22H,6-13H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyGUHNUVWCCMCHOH-AWEZNQCLSA-N
MW362.43 g/mol
LogP0.95
Rot. Bonds6

About (3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 125135627) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID125135627
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name(3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)NCC2(CO)CCOCC2)CC1=O
InChIInChI=1S/C19H26N2O5/c1-25-16-5-3-2-4-15(16)21-11-14(10-17(21)23)18(24)20-12-19(13-22)6-8-26-9-7-19/h2-5,14,22H,6-13H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyGUHNUVWCCMCHOH-AWEZNQCLSA-N
XLogP0.95
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542267
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904637
4-[[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541802
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24624597
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 55492788
(3S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7986706
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
(3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124872834
(3R)-1-(2-methoxyphenyl)-N-[2-(3-methylbut-2-enoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97161779
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 125135627) is (3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1C[C@@H](C(=O)NCC2(CO)CCOCC2)CC1=O.
What is the InChIKey of (3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GUHNUVWCCMCHOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-25-16-5-3-2-4-15(16)21-11-14(10-17(21)23)18(24)20-12-19(13-22)6-8-26-9-7-19/h2-5,14,22H,6-13H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 125135627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).