N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide

C15H19N3O3 — CID 43447503

IUPACN-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1C(=O)CCCC1=O
InChIInChI=1S/C15H19N3O3/c1-10-5-6-11(16)9-12(10)17-13(19)7-8-18-14(20)3-2-4-15(18)21/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,19)
InChIKeyQVRWQAXORGFGMN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.44
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide

N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide (PubChem CID 43447503) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
PubChem CID43447503
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1C(=O)CCCC1=O
InChIInChI=1S/C15H19N3O3/c1-10-5-6-11(16)9-12(10)17-13(19)7-8-18-14(20)3-2-4-15(18)21/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,19)
InChIKeyQVRWQAXORGFGMN-UHFFFAOYSA-N
XLogP1.44
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.44
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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N-(5-amino-2-methylphenyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)propanamide
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N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide
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N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
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N-(5-amino-2-methylphenyl)-3-(1,4-thiazepan-4-yl)propanamide
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N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
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N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide (CID 43447503) is N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide is Cc1ccc(N)cc1NC(=O)CCN1C(=O)CCCC1=O.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide?
The InChIKey is QVRWQAXORGFGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-5-6-11(16)9-12(10)17-13(19)7-8-18-14(20)3-2-4-15(18)21/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,19).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide?
N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide has a molecular weight of 289.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide is sourced from PubChem (CID 43447503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).