[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C23H25N3O4 — CID 2410660

IUPAC[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C23H25N3O4/c1-23(2,3)26(13-17-9-5-4-6-10-17)20(27)15-30-21(28)14-25-16-24-19-12-8-7-11-18(19)22(25)29/h4-12,16H,13-15H2,1-3H3
InChIKeyZAFPGABBIPVMEW-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.77
Rot. Bonds6

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 2410660) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID2410660
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C23H25N3O4/c1-23(2,3)26(13-17-9-5-4-6-10-17)20(27)15-30-21(28)14-25-16-24-19-12-8-7-11-18(19)22(25)29/h4-12,16H,13-15H2,1-3H3
InChIKeyZAFPGABBIPVMEW-UHFFFAOYSA-N
XLogP2.77
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 2410660) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is ZAFPGABBIPVMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-23(2,3)26(13-17-9-5-4-6-10-17)20(27)15-30-21(28)14-25-16-24-19-12-8-7-11-18(19)22(25)29/h4-12,16H,13-15H2,1-3H3.
What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 407.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 2410660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).