tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate

C23H34N4O4 — CID 136896432

About tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate

tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate (PubChem CID 136896432) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate
• PubChem CID: 136896432
• Molecular Formula: C23H34N4O4
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.26
• IUPAC Name: tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate
• SMILES: CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C
• InChI: InChI=1S/C23H34N4O4/c1-7-27(14-19-25-18-11-9-8-10-17(18)20(28)26-19)21(29)16(12-15(2)3)13-24-22(30)31-23(4,5)6/h8-11,15-16H,7,12-14H2,1-6H3,(H,24,30)(H,25,26,28)/t16-/m0/s1
• InChIKey: UECVQIHOJZMLAD-INIZCTEOSA-N
• XLogP: 3.46
• TPSA: 104.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate (CID 136896432) is tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C.

What is the InChIKey of tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate?

The InChIKey is UECVQIHOJZMLAD-INIZCTEOSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-7-27(14-19-25-18-11-9-8-10-17(18)20(28)26-19)21(29)16(12-15(2)3)13-24-22(30)31-23(4,5)6/h8-11,15-16H,7,12-14H2,1-6H3,(H,24,30)(H,25,26,28)/t16-/m0/s1.

What are the key properties of tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate?

tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate has a molecular weight of 430.55 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-4-methylpentyl]carbamate is sourced from PubChem (CID 136896432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).