3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide

C15H19N3O3 — CID 119323792

IUPAC3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
SMILESNCCC(=O)NCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19N3O3/c16-8-7-13(19)17-9-3-4-10-18-14(20)11-5-1-2-6-12(11)15(18)21/h1-2,5-6H,3-4,7-10,16H2,(H,17,19)
InChIKeyUGOKJZXOXMEHOQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.53
Rot. Bonds7

About 3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide

3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide (PubChem CID 119323792) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
PubChem CID119323792
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
SMILESNCCC(=O)NCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19N3O3/c16-8-7-13(19)17-9-3-4-10-18-14(20)11-5-1-2-6-12(11)15(18)21/h1-2,5-6H,3-4,7-10,16H2,(H,17,19)
InChIKeyUGOKJZXOXMEHOQ-UHFFFAOYSA-N
XLogP0.53
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
CID 119323815
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide
CID 120562654
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
CID 110417982
2-[4-(aminomethylamino)butyl]isoindole-1,3-dione
CID 70994742
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide
CID 119783908
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574012

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide?
The IUPAC name of 3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide (CID 119323792) is 3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide?
The canonical SMILES for 3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide is NCCC(=O)NCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide?
The InChIKey is UGOKJZXOXMEHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-8-7-13(19)17-9-3-4-10-18-14(20)11-5-1-2-6-12(11)15(18)21/h1-2,5-6H,3-4,7-10,16H2,(H,17,19).
What are the key properties of 3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide?
3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide has a molecular weight of 289.34 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide is sourced from PubChem (CID 119323792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).