N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide

C19H19N3O4 — CID 146482640

IUPACN-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-11(2)16(23)20-13-9-7-12(8-10-13)17(24)21-22-18(25)14-5-3-4-6-15(14)19(22)26/h3-11,17,21,24H,1-2H3,(H,20,23)
InChIKeyZNDSLPXNOCAXIV-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.07
Rot. Bonds5

About N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide

N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide (PubChem CID 146482640) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide
PubChem CID146482640
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-11(2)16(23)20-13-9-7-12(8-10-13)17(24)21-22-18(25)14-5-3-4-6-15(14)19(22)26/h3-11,17,21,24H,1-2H3,(H,20,23)
InChIKeyZNDSLPXNOCAXIV-UHFFFAOYSA-N
XLogP2.07
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione
CID 134896930
(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 721438
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
CID 839386
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926576
N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide
CID 42959795
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-methylbutanamide
CID 680589
4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 4523065
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide (CID 146482640) is N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(O)NN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide?
The InChIKey is ZNDSLPXNOCAXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11(2)16(23)20-13-9-7-12(8-10-13)17(24)21-22-18(25)14-5-3-4-6-15(14)19(22)26/h3-11,17,21,24H,1-2H3,(H,20,23).
What are the key properties of N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide?
N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide has a molecular weight of 353.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 146482640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).