N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide

C14H17N3O3 — CID 43088889

IUPACN-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C14H17N3O3/c1-4-15-12(18)8(2)16-9-5-6-10-11(7-9)14(20)17(3)13(10)19/h5-8,16H,4H2,1-3H3,(H,15,18)
InChIKeyDNWZXVTXASSPFE-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.85
Rot. Bonds4

About N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide

N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide (PubChem CID 43088889) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
PubChem CID43088889
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C14H17N3O3/c1-4-15-12(18)8(2)16-9-5-6-10-11(7-9)14(20)17(3)13(10)19/h5-8,16H,4H2,1-3H3,(H,15,18)
InChIKeyDNWZXVTXASSPFE-UHFFFAOYSA-N
XLogP0.85
TPSA78.51 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 ≤ 50.85
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

1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343
2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
CID 110732693
3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 62728074
2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione
CID 43192242
2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
CID 107620078
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
N'-hydroxy-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]butanimidamide
CID 77026685
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
CID 28897269
N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide
CID 103604422
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide (CID 43088889) is N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide is CCNC(=O)C(C)Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide?
The InChIKey is DNWZXVTXASSPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-15-12(18)8(2)16-9-5-6-10-11(7-9)14(20)17(3)13(10)19/h5-8,16H,4H2,1-3H3,(H,15,18).
What are the key properties of N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide?
N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide has a molecular weight of 275.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide is sourced from PubChem (CID 43088889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).