tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate

C29H35N3O4 — CID 18018226

About tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate (PubChem CID 18018226) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate
• PubChem CID: 18018226
• Molecular Formula: C29H35N3O4
• Molecular Weight: 489.62 g/mol
• Exact Mass: 489.26
• IUPAC Name: tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCC(=O)N(C(C(=O)Nc1ccc2ccccc2c1)c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C29H35N3O4/c1-28(2,3)32(24(33)19-30-27(35)36-29(4,5)6)25(21-13-8-7-9-14-21)26(34)31-23-17-16-20-12-10-11-15-22(20)18-23/h7-18,25H,19H2,1-6H3,(H,30,35)(H,31,34)
• InChIKey: UCRSHKCIRBZEBR-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.62
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate (CID 18018226) is tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N(C(C(=O)Nc1ccc2ccccc2c1)c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate?

The InChIKey is UCRSHKCIRBZEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-28(2,3)32(24(33)19-30-27(35)36-29(4,5)6)25(21-13-8-7-9-14-21)26(34)31-23-17-16-20-12-10-11-15-22(20)18-23/h7-18,25H,19H2,1-6H3,(H,30,35)(H,31,34).

What are the key properties of tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate?

tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 489.62 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[tert-butyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 18018226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).