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

C17H23N3O3 — CID 120562654

IUPAC4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide
SMILESCC(N)CCC(=O)NCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H23N3O3/c1-12(18)8-9-15(21)19-10-4-5-11-20-16(22)13-6-2-3-7-14(13)17(20)23/h2-3,6-7,12H,4-5,8-11,18H2,1H3,(H,19,21)
InChIKeyCWMBXKKOIUBANH-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.31
Rot. Bonds8

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

4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide (PubChem CID 120562654) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide
PubChem CID120562654
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide
SMILESCC(N)CCC(=O)NCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H23N3O3/c1-12(18)8-9-15(21)19-10-4-5-11-20-16(22)13-6-2-3-7-14(13)17(20)23/h2-3,6-7,12H,4-5,8-11,18H2,1H3,(H,19,21)
InChIKeyCWMBXKKOIUBANH-UHFFFAOYSA-N
XLogP1.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.31
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

3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
N-(3-aminobutyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide;hydrochloride
CID 119495415
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
CID 119323815
N-[2-(2-chloropropanoylamino)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574020
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
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methylbutanamide
CID 108538484
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
1-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-(2-methylpropyl)guanidine
CID 111810654
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide?
The IUPAC name of 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide (CID 120562654) is 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide.
What is the SMILES notation for 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide?
The canonical SMILES for 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide is CC(N)CCC(=O)NCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide?
The InChIKey is CWMBXKKOIUBANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(18)8-9-15(21)19-10-4-5-11-20-16(22)13-6-2-3-7-14(13)17(20)23/h2-3,6-7,12H,4-5,8-11,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide?
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide has a molecular weight of 317.39 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide is sourced from PubChem (CID 120562654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).