2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide

C20H33N3O2 — CID 8834502

About 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide

2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide (PubChem CID 8834502) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
• PubChem CID: 8834502
• Molecular Formula: C20H33N3O2
• Molecular Weight: 347.50 g/mol
• Exact Mass: 347.26
• IUPAC Name: 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
• SMILES: CC[C@H](C)c1ccc([C@@H](NCC(=O)N(C)CC(=O)NC)C(C)C)cc1
• InChI: InChI=1S/C20H33N3O2/c1-7-15(4)16-8-10-17(11-9-16)20(14(2)3)22-12-19(25)23(6)13-18(24)21-5/h8-11,14-15,20,22H,7,12-13H2,1-6H3,(H,21,24)/t15-,20-/m0/s1
• InChIKey: SEZFABMMSSNLBW-YWZLYKJASA-N
• XLogP: 2.69
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.50
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide?

The IUPAC name of 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide (CID 8834502) is 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide.

What is the SMILES notation for 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide?

The canonical SMILES for 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide is CC[C@H](C)c1ccc([C@@H](NCC(=O)N(C)CC(=O)NC)C(C)C)cc1.

What is the InChIKey of 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide?

The InChIKey is SEZFABMMSSNLBW-YWZLYKJASA-N. The full InChI is InChI=1S/C20H33N3O2/c1-7-15(4)16-8-10-17(11-9-16)20(14(2)3)22-12-19(25)23(6)13-18(24)21-5/h8-11,14-15,20,22H,7,12-13H2,1-6H3,(H,21,24)/t15-,20-/m0/s1.

What are the key properties of 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide?

2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 8834502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).