3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride

C20H22ClN3O3 — CID 120610743

IUPAC3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride
SMILESCc1cc(NC(=O)CCc2ccccc2N)ccc1N1C(=O)CCC1=O.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-13-12-15(7-8-17(13)23-19(25)10-11-20(23)26)22-18(24)9-6-14-4-2-3-5-16(14)21;/h2-5,7-8,12H,6,9-11,21H2,1H3,(H,22,24);1H
InChIKeyYKPYRTYLUSMZAT-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.22
Rot. Bonds5

About 3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride (PubChem CID 120610743) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride
PubChem CID120610743
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride
SMILESCc1cc(NC(=O)CCc2ccccc2N)ccc1N1C(=O)CCC1=O.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-13-12-15(7-8-17(13)23-19(25)10-11-20(23)26)22-18(24)9-6-14-4-2-3-5-16(14)21;/h2-5,7-8,12H,6,9-11,21H2,1H3,(H,22,24);1H
InChIKeyYKPYRTYLUSMZAT-UHFFFAOYSA-N
XLogP3.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride (CID 120610743) is 3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride is Cc1cc(NC(=O)CCc2ccccc2N)ccc1N1C(=O)CCC1=O.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride?
The InChIKey is YKPYRTYLUSMZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.ClH/c1-13-12-15(7-8-17(13)23-19(25)10-11-20(23)26)22-18(24)9-6-14-4-2-3-5-16(14)21;/h2-5,7-8,12H,6,9-11,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride is sourced from PubChem (CID 120610743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).