N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide

C20H27N3O4 — CID 108574012

IUPACN-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H27N3O4/c1-20(2,3)13-17(25)22-11-10-21-16(24)9-6-12-23-18(26)14-7-4-5-8-15(14)19(23)27/h4-5,7-8H,6,9-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyAQSXYYGHGDJKMT-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.73
Rot. Bonds8

About N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide

N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide (PubChem CID 108574012) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
PubChem CID108574012
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H27N3O4/c1-20(2,3)13-17(25)22-11-10-21-16(24)9-6-12-23-18(26)14-7-4-5-8-15(14)19(23)27/h4-5,7-8H,6,9-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyAQSXYYGHGDJKMT-UHFFFAOYSA-N
XLogP1.73
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.73
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'}

Analyze N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
3,3-dimethyl-N-[2-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]butanamide
CID 108574092
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
tert-butyl 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]propanoate
CID 139517006
N-[2-(2-chloropropanoylamino)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574020
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
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-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide (CID 108574012) is N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCNC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide?
The InChIKey is AQSXYYGHGDJKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-20(2,3)13-17(25)22-11-10-21-16(24)9-6-12-23-18(26)14-7-4-5-8-15(14)19(23)27/h4-5,7-8H,6,9-13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide?
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide has a molecular weight of 373.45 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 108574012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).