(2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane

C28H49N3O3 — CID 158389162

About (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane

(2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane (PubChem CID 158389162) has the molecular formula C28H49N3O3 and a molecular weight of 475.72 g/mol. Its IUPAC name is (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane.

Molecular Properties

• Compound Name: (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane
• PubChem CID: 158389162
• Molecular Formula: C28H49N3O3
• Molecular Weight: 475.72 g/mol
• Exact Mass: 475.38
• IUPAC Name: (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane
• SMILES: CC(C)C.CC[C@H](C(=O)NCC(=O)N(C)[C@H](CN(C)C(C)=O)C(C)C)C(C)(C)c1ccccc1
• InChI: InChI=1S/C24H39N3O3.C4H10/c1-9-20(24(5,6)19-13-11-10-12-14-19)23(30)25-15-22(29)27(8)21(17(2)3)16-26(7)18(4)28;1-4(2)3/h10-14,17,20-21H,9,15-16H2,1-8H3,(H,25,30);4H,1-3H3/t20-,21-;/m1./s1
• InChIKey: GWSSCOZNUBJJMB-MUCZFFFMSA-N
• XLogP: 4.73
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.72
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane?

The IUPAC name of (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane (CID 158389162) is (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane.

What is the SMILES notation for (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane?

The canonical SMILES for (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane is CC(C)C.CC[C@H](C(=O)NCC(=O)N(C)[C@H](CN(C)C(C)=O)C(C)C)C(C)(C)c1ccccc1.

What is the InChIKey of (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane?

The InChIKey is GWSSCOZNUBJJMB-MUCZFFFMSA-N. The full InChI is InChI=1S/C24H39N3O3.C4H10/c1-9-20(24(5,6)19-13-11-10-12-14-19)23(30)25-15-22(29)27(8)21(17(2)3)16-26(7)18(4)28;1-4(2)3/h10-14,17,20-21H,9,15-16H2,1-8H3,(H,25,30);4H,1-3H3/t20-,21-;/m1./s1.

What are the key properties of (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane?

(2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane has a molecular weight of 475.72 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-[[(2S)-1-[acetyl(methyl)amino]-3-methylbutan-2-yl]-methylamino]-2-oxoethyl]-2-ethyl-3-methyl-3-phenylbutanamide;2-methylpropane is sourced from PubChem (CID 158389162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).