2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide

C14H17N3O3 — CID 103111205

IUPAC2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C14H17N3O3/c1-4-16(3)12(18)8(2)17-13(19)10-6-5-9(15)7-11(10)14(17)20/h5-8H,4,15H2,1-3H3
InChIKeyJZRSSHYKSWPZAC-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.73
Rot. Bonds3

About 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide

2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide (PubChem CID 103111205) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide
PubChem CID103111205
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C14H17N3O3/c1-4-16(3)12(18)8(2)17-13(19)10-6-5-9(15)7-11(10)14(17)20/h5-8H,4,15H2,1-3H3
InChIKeyJZRSSHYKSWPZAC-UHFFFAOYSA-N
XLogP0.73
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
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

2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid
CID 119346595
5-amino-2-(3-methylpentan-2-yl)isoindole-1,3-dione
CID 54950904
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
CID 115579378
2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103113457
5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione
CID 21307299
5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione
CID 62640881
(2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31852932
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide
CID 15518686
2-(1-ethoxy-1-oxopropan-2-yl)-1,3-dioxoisoindole-5-carboxylic acid
CID 61498776
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103113458
3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide
CID 62623411
(2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide
CID 7297635

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide (CID 103111205) is 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)N1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide?
The InChIKey is JZRSSHYKSWPZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-16(3)12(18)8(2)17-13(19)10-6-5-9(15)7-11(10)14(17)20/h5-8H,4,15H2,1-3H3.
What are the key properties of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide?
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide has a molecular weight of 275.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103111205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).