2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide

C16H16N2O4 — CID 90549332

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide
SMILESCOc1ccccc1C#CCNC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C16H16N2O4/c1-22-13-7-3-2-5-12(13)6-4-10-17-14(19)11-18-15(20)8-9-16(18)21/h2-3,5,7H,8-11H2,1H3,(H,17,19)
InChIKeyPTWIWRXDENDFQW-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.31
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide (PubChem CID 90549332) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide
PubChem CID90549332
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide
SMILESCOc1ccccc1C#CCNC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C16H16N2O4/c1-22-13-7-3-2-5-12(13)6-4-10-17-14(19)11-18-15(20)8-9-16(18)21/h2-3,5,7H,8-11H2,1H3,(H,17,19)
InChIKeyPTWIWRXDENDFQW-UHFFFAOYSA-N
XLogP0.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 90548784
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide
CID 90548247
2-(4-fluorophenyl)sulfanyl-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide
CID 90549331
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 90551963
4-(4-chlorophenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-4-oxobutanamide
CID 90549144
3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549206
3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549199
1-[(4-chlorophenyl)methyl]-3-[3-(2-methoxyphenyl)prop-2-ynyl]urea
CID 90553175
3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549224
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide
CID 90549371
2-chloro-4-fluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549320
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90549359

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide (CID 90549332) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide is COc1ccccc1C#CCNC(=O)CN1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide?
The InChIKey is PTWIWRXDENDFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-13-7-3-2-5-12(13)6-4-10-17-14(19)11-18-15(20)8-9-16(18)21/h2-3,5,7H,8-11H2,1H3,(H,17,19).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide has a molecular weight of 300.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide is sourced from PubChem (CID 90549332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).