N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

C16H19N3O4 — CID 110756142

IUPACN-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCC(=O)NCCNC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H19N3O4/c1-11(20)17-8-9-18-14(21)7-4-10-19-15(22)12-5-2-3-6-13(12)16(19)23/h2-3,5-6H,4,7-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyPWZKCTDSUIDRJG-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.32
Rot. Bonds7

About N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 110756142) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID110756142
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCC(=O)NCCNC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H19N3O4/c1-11(20)17-8-9-18-14(21)7-4-10-19-15(22)12-5-2-3-6-13(12)16(19)23/h2-3,5-6H,4,7-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyPWZKCTDSUIDRJG-UHFFFAOYSA-N
XLogP0.32
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.32
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-(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
N-[2-(2-chloropropanoylamino)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574020
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869
3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108542672
tert-butyl 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]propanoate
CID 139517006
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108542670
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
CID 108537858

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 110756142) is N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is CC(=O)NCCNC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is PWZKCTDSUIDRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11(20)17-8-9-18-14(21)7-4-10-19-15(22)12-5-2-3-6-13(12)16(19)23/h2-3,5-6H,4,7-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 317.35 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 110756142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).