N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

C16H21N3O3 — CID 119655397

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(CC(C)(C)CN)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H21N3O3/c1-16(2,9-17)10-18(3)13(20)8-19-14(21)11-6-4-5-7-12(11)15(19)22/h4-7H,8-10,17H2,1-3H3
InChIKeyFQTJQCKYOXZDIA-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.73
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (PubChem CID 119655397) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
PubChem CID119655397
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(CC(C)(C)CN)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H21N3O3/c1-16(2,9-17)10-18(3)13(20)8-19-14(21)11-6-4-5-7-12(11)15(19)22/h4-7H,8-10,17H2,1-3H3
InChIKeyFQTJQCKYOXZDIA-UHFFFAOYSA-N
XLogP0.73
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 119653152
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride
CID 119654789
N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119659914
N-(3-amino-2,2-dimethylpropyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 119655063
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 87041147
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide
CID 119655735
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride
CID 119655500
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8918958
2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 26292160
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733447

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (CID 119655397) is N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is CN(CC(C)(C)CN)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The InChIKey is FQTJQCKYOXZDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(2,9-17)10-18(3)13(20)8-19-14(21)11-6-4-5-7-12(11)15(19)22/h4-7H,8-10,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide has a molecular weight of 303.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 119655397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).