3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide

C14H17N3O3 — CID 62623411

IUPAC3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C14H17N3O3/c1-8(2)16-12(18)5-6-17-13(19)10-4-3-9(15)7-11(10)14(17)20/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyNFIDUPOZCPBVFJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.78
Rot. Bonds4

About 3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide

3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide (PubChem CID 62623411) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide
PubChem CID62623411
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C14H17N3O3/c1-8(2)16-12(18)5-6-17-13(19)10-4-3-9(15)7-11(10)14(17)20/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyNFIDUPOZCPBVFJ-UHFFFAOYSA-N
XLogP0.78
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.78
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

5-amino-2-[2-(3-methylbutoxy)ethyl]isoindole-1,3-dione
CID 61484040
5-amino-2-(2-aminoethyl)isoindole-1,3-dione
CID 82506823
5-amino-2-dodecylisoindole-1,3-dione
CID 100925036
5-amino-2-decylisoindole-1,3-dione
CID 132514130
5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione
CID 62640881
5-amino-2-(2-propan-2-ylsulfonylethyl)isoindole-1,3-dione
CID 106724648
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide
CID 110351376
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 51534434
3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide
CID 172652013
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202338
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 51571611

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide (CID 62623411) is 3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide?
The InChIKey is NFIDUPOZCPBVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)16-12(18)5-6-17-13(19)10-4-3-9(15)7-11(10)14(17)20/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide?
3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide has a molecular weight of 275.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62623411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).