(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C21H22N2O3 — CID 1189020

IUPAC(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-4-14-9-8-10-15(5-2)18(14)22-19(24)13(3)23-20(25)16-11-6-7-12-17(16)21(23)26/h6-13H,4-5H2,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyCZKZFBADYWINCJ-ZDUSSCGKSA-N
MW350.42 g/mol
LogP3.43
Rot. Bonds5

About (2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 1189020) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID1189020
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-4-14-9-8-10-15(5-2)18(14)22-19(24)13(3)23-20(25)16-11-6-7-12-17(16)21(23)26/h6-13H,4-5H2,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyCZKZFBADYWINCJ-ZDUSSCGKSA-N
XLogP3.43
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 ≤ 53.43
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

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 7081327
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
N-(2,6-diethylphenyl)-2-[4-[2-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4-diazepan-1-yl]acetamide
CID 74229360
N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 78699303
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
2-(1,3-dioxoisoindol-2-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 2920554

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of (2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 1189020) is (2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for (2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is CCc1cccc(CC)c1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is CZKZFBADYWINCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-14-9-8-10-15(5-2)18(14)22-19(24)13(3)23-20(25)16-11-6-7-12-17(16)21(23)26/h6-13H,4-5H2,1-3H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 1189020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).