N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide

C16H21N3O4 — CID 119715536

IUPACN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H21N3O4/c1-23-9-8-17-10-14(20)18-13-4-2-12(3-5-13)11-19-15(21)6-7-16(19)22/h2-5,17H,6-11H2,1H3,(H,18,20)
InChIKeyQAXRBDCLTDJFRW-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.51
Rot. Bonds8

About N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119715536) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119715536
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H21N3O4/c1-23-9-8-17-10-14(20)18-13-4-2-12(3-5-13)11-19-15(21)6-7-16(19)22/h2-5,17H,6-11H2,1H3,(H,18,20)
InChIKeyQAXRBDCLTDJFRW-UHFFFAOYSA-N
XLogP0.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 119715728
2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide
CID 119769564
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119845048
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621372
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide
CID 119761543
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621371

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide (CID 119715536) is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is QAXRBDCLTDJFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-23-9-8-17-10-14(20)18-13-4-2-12(3-5-13)11-19-15(21)6-7-16(19)22/h2-5,17H,6-11H2,1H3,(H,18,20).
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide?
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 319.36 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119715536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).