N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide

C20H32N4O6 — CID 123398380

IUPACN-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
SMILESCC(C)(CCNC(=O)CCN1C(=O)C=CC1=O)OCCC(C)(C)C(=O)NCC(N)=O
InChIInChI=1S/C20H32N4O6/c1-19(2,18(29)23-13-14(21)25)9-12-30-20(3,4)8-10-22-15(26)7-11-24-16(27)5-6-17(24)28/h5-6H,7-13H2,1-4H3,(H2,21,25)(H,22,26)(H,23,29)
InChIKeyGFWKQYXGDPYXTN-UHFFFAOYSA-N
MW424.50 g/mol
LogP-0.38
Rot. Bonds13

About N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide

N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide (PubChem CID 123398380) has the molecular formula C20H32N4O6 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
PubChem CID123398380
Molecular FormulaC20H32N4O6
Molecular Weight424.50 g/mol
Exact Mass424.23
IUPAC NameN-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
SMILESCC(C)(CCNC(=O)CCN1C(=O)C=CC1=O)OCCC(C)(C)C(=O)NCC(N)=O
InChIInChI=1S/C20H32N4O6/c1-19(2,18(29)23-13-14(21)25)9-12-30-20(3,4)8-10-22-15(26)7-11-24-16(27)5-6-17(24)28/h5-6H,7-13H2,1-4H3,(H2,21,25)(H,22,26)(H,23,29)
InChIKeyGFWKQYXGDPYXTN-UHFFFAOYSA-N
XLogP-0.38
TPSA147.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide (CID 123398380) is N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide is CC(C)(CCNC(=O)CCN1C(=O)C=CC1=O)OCCC(C)(C)C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide?
The InChIKey is GFWKQYXGDPYXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O6/c1-19(2,18(29)23-13-14(21)25)9-12-30-20(3,4)8-10-22-15(26)7-11-24-16(27)5-6-17(24)28/h5-6H,7-13H2,1-4H3,(H2,21,25)(H,22,26)(H,23,29).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide?
N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide has a molecular weight of 424.50 g/mol, XLogP of -0.38, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide is sourced from PubChem (CID 123398380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).