N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide

C25H42N4O6 — CID 126614154

IUPACN-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide
SMILESCC(C)(CNC(=O)CCN1C(=O)C=CC1=O)COCC(C)(C)CC(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C25H42N4O6/c1-23(2,3)22(34)27-12-11-26-19(31)14-24(4,5)16-35-17-25(6,7)15-28-18(30)10-13-29-20(32)8-9-21(29)33/h8-9H,10-17H2,1-7H3,(H,26,31)(H,27,34)(H,28,30)
InChIKeyOXRVOFVHXFQMTI-UHFFFAOYSA-N
MW494.63 g/mol
LogP1.16
Rot. Bonds14

About N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide

N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide (PubChem CID 126614154) has the molecular formula C25H42N4O6 and a molecular weight of 494.63 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide
PubChem CID126614154
Molecular FormulaC25H42N4O6
Molecular Weight494.63 g/mol
Exact Mass494.31
IUPAC NameN-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide
SMILESCC(C)(CNC(=O)CCN1C(=O)C=CC1=O)COCC(C)(C)CC(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C25H42N4O6/c1-23(2,3)22(34)27-12-11-26-19(31)14-24(4,5)16-35-17-25(6,7)15-28-18(30)10-13-29-20(32)8-9-21(29)33/h8-9H,10-17H2,1-7H3,(H,26,31)(H,27,34)(H,28,30)
InChIKeyOXRVOFVHXFQMTI-UHFFFAOYSA-N
XLogP1.16
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide (CID 126614154) is N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide is CC(C)(CNC(=O)CCN1C(=O)C=CC1=O)COCC(C)(C)CC(=O)NCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide?
The InChIKey is OXRVOFVHXFQMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O6/c1-23(2,3)22(34)27-12-11-26-19(31)14-24(4,5)16-35-17-25(6,7)15-28-18(30)10-13-29-20(32)8-9-21(29)33/h8-9H,10-17H2,1-7H3,(H,26,31)(H,27,34)(H,28,30).
What are the key properties of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide?
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide has a molecular weight of 494.63 g/mol, XLogP of 1.16, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide is sourced from PubChem (CID 126614154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).