N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C21H22N2O3 — CID 78699303

IUPACN-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-4-13(2)15-9-7-8-12-18(15)22-19(24)14(3)23-20(25)16-10-5-6-11-17(16)21(23)26/h5-14H,4H2,1-3H3,(H,22,24)
InChIKeyTYJKNWVQQVJVLY-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.82
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 78699303) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID78699303
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-4-13(2)15-9-7-8-12-18(15)22-19(24)14(3)23-20(25)16-10-5-6-11-17(16)21(23)26/h5-14H,4H2,1-3H3,(H,22,24)
InChIKeyTYJKNWVQQVJVLY-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
1-(2-butan-2-ylphenyl)-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872336
N-(2-butan-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 78288061
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1112277
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 78699303) is N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is CCC(C)c1ccccc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is TYJKNWVQQVJVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-13(2)15-9-7-8-12-18(15)22-19(24)14(3)23-20(25)16-10-5-6-11-17(16)21(23)26/h5-14H,4H2,1-3H3,(H,22,24).
What are the key properties of N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 78699303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).