N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C20H19N3O3 — CID 18154251

IUPACN-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H19N3O3/c1-13-17-5-3-4-6-18(17)20(26)23(13)12-19(25)21-11-15-7-9-16(10-8-15)22-14(2)24/h3-10H,1,11-12H2,2H3,(H,21,25)(H,22,24)
InChIKeyPXXHCYJGYHDKQL-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.39
Rot. Bonds5

About N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 18154251) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID18154251
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H19N3O3/c1-13-17-5-3-4-6-18(17)20(26)23(13)12-19(25)21-11-15-7-9-16(10-8-15)22-14(2)24/h3-10H,1,11-12H2,2H3,(H,21,25)(H,22,24)
InChIKeyPXXHCYJGYHDKQL-UHFFFAOYSA-N
XLogP2.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 17466380
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674
N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide
CID 55802247
N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55960851
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592135
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18137394
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55800908
N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 49336908
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 34624107
N-[(4-acetamidophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 18154273
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 17492143

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 18154251) is N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is PXXHCYJGYHDKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-17-5-3-4-6-18(17)20(26)23(13)12-19(25)21-11-15-7-9-16(10-8-15)22-14(2)24/h3-10H,1,11-12H2,2H3,(H,21,25)(H,22,24).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 18154251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).