N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C16H21N3O3 — CID 119995908

IUPACN-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)NCC(C)CN)C2=O
InChIInChI=1S/C16H21N3O3/c1-9-4-5-12-13(6-9)16(22)19(15(12)21)11(3)14(20)18-8-10(2)7-17/h4-6,10-11H,7-8,17H2,1-3H3,(H,18,20)
InChIKeyQHWQLFRQTBVHSA-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.69
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 119995908) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID119995908
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)NCC(C)CN)C2=O
InChIInChI=1S/C16H21N3O3/c1-9-4-5-12-13(6-9)16(22)19(15(12)21)11(3)14(20)18-8-10(2)7-17/h4-6,10-11H,7-8,17H2,1-3H3,(H,18,20)
InChIKeyQHWQLFRQTBVHSA-UHFFFAOYSA-N
XLogP0.69
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120509037
N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119528388
N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119666526
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119590379
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120944416
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119535468
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-4-methylbenzamide
CID 108537941
2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid
CID 119346595
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816747
(2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide
CID 95380556
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51417174
2-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methylisoindole-1,3-dione
CID 79244817

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 119995908) is N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(C(C)C(=O)NCC(C)CN)C2=O.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is QHWQLFRQTBVHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-9-4-5-12-13(6-9)16(22)19(15(12)21)11(3)14(20)18-8-10(2)7-17/h4-6,10-11H,7-8,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 303.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 119995908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).