4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide

C21H22N2O4 — CID 25496336

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-14(17-5-3-4-6-18(17)27-2)22-21(26)16-9-7-15(8-10-16)13-23-19(24)11-12-20(23)25/h3-10,14H,11-13H2,1-2H3,(H,22,26)/t14-/m1/s1
InChIKeyLPMPHJRUILHFIX-CQSZACIVSA-N
MW366.42 g/mol
LogP2.84
Rot. Bonds6

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 25496336) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
PubChem CID25496336
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-14(17-5-3-4-6-18(17)27-2)22-21(26)16-9-7-15(8-10-16)13-23-19(24)11-12-20(23)25/h3-10,14H,11-13H2,1-2H3,(H,22,26)/t14-/m1/s1
InChIKeyLPMPHJRUILHFIX-CQSZACIVSA-N
XLogP2.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81389735
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 55637535
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 26008402
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313653
N-[1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 75461927
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 41048405
4-(1,3-dithiolan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 78771363
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
CID 26618887
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719116
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 26882953
2-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119188265

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide (CID 25496336) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is LPMPHJRUILHFIX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14(17-5-3-4-6-18(17)27-2)22-21(26)16-9-7-15(8-10-16)13-23-19(24)11-12-20(23)25/h3-10,14H,11-13H2,1-2H3,(H,22,26)/t14-/m1/s1.
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 25496336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).