4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride

C16H22ClN3O3 — CID 119323815

IUPAC4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H21N3O3.ClH/c17-9-5-8-14(20)18-10-3-4-11-19-15(21)12-6-1-2-7-13(12)16(19)22;/h1-2,6-7H,3-5,8-11,17H2,(H,18,20);1H
InChIKeyUGGRIDAIIZLCLQ-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.34
Rot. Bonds8

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

4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride (PubChem CID 119323815) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
PubChem CID119323815
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H21N3O3.ClH/c17-9-5-8-14(20)18-10-3-4-11-19-15(21)12-6-1-2-7-13(12)16(19)22;/h1-2,6-7H,3-5,8-11,17H2,(H,18,20);1H
InChIKeyUGGRIDAIIZLCLQ-UHFFFAOYSA-N
XLogP1.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.34
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-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide
CID 120562654
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride
CID 126468841
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574012
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
CID 110417982
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108542670

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride (CID 119323815) is 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride?
The InChIKey is UGGRIDAIIZLCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c17-9-5-8-14(20)18-10-3-4-11-19-15(21)12-6-1-2-7-13(12)16(19)22;/h1-2,6-7H,3-5,8-11,17H2,(H,18,20);1H.
What are the key properties of 4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride?
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 1.34, 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]butanamide;hydrochloride is sourced from PubChem (CID 119323815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).