N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide

C22H24N4O6 — CID 45355039

IUPACN-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1N1CC(=O)N(c2cc(NC(C)=O)ccc2OC)CC1=O
InChIInChI=1S/C22H24N4O6/c1-13(27)23-15-5-7-19(31-3)17(9-15)25-11-22(30)26(12-21(25)29)18-10-16(24-14(2)28)6-8-20(18)32-4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyOFQGUYDVUOIESW-UHFFFAOYSA-N
MW440.46 g/mol
LogP2.00
Rot. Bonds6

About N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide

N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide (PubChem CID 45355039) has the molecular formula C22H24N4O6 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide
PubChem CID45355039
Molecular FormulaC22H24N4O6
Molecular Weight440.46 g/mol
Exact Mass440.17
IUPAC NameN-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1N1CC(=O)N(c2cc(NC(C)=O)ccc2OC)CC1=O
InChIInChI=1S/C22H24N4O6/c1-13(27)23-15-5-7-19(31-3)17(9-15)25-11-22(30)26(12-21(25)29)18-10-16(24-14(2)28)6-8-20(18)32-4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyOFQGUYDVUOIESW-UHFFFAOYSA-N
XLogP2.00
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide with MolForge

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Related Compounds

N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
N-(4-methoxy-3-methylsulfanylphenyl)acetamide
CID 593064
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 146136090
N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679617
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
N-cyclopentyl-N'-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679550
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide (CID 45355039) is N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1N1CC(=O)N(c2cc(NC(C)=O)ccc2OC)CC1=O.
What is the InChIKey of N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide?
The InChIKey is OFQGUYDVUOIESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6/c1-13(27)23-15-5-7-19(31-3)17(9-15)25-11-22(30)26(12-21(25)29)18-10-16(24-14(2)28)6-8-20(18)32-4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide?
N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide has a molecular weight of 440.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 45355039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).