N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide

C25H35N3O3 — CID 8834661

About N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide (PubChem CID 8834661) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide
• PubChem CID: 8834661
• Molecular Formula: C25H35N3O3
• Molecular Weight: 425.57 g/mol
• Exact Mass: 425.27
• IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide
• SMILES: CC[C@@H](C)c1ccc([C@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1
• InChI: InChI=1S/C25H35N3O3/c1-7-17(4)19-8-10-20(11-9-19)25(16(2)3)26-15-24(30)28-22-14-21(27-18(5)29)12-13-23(22)31-6/h8-14,16-17,25-26H,7,15H2,1-6H3,(H,27,29)(H,28,30)/t17-,25-/m1/s1
• InChIKey: UFILVDRYUJMLGM-CRICUBBOSA-N
• XLogP: 5.09
• TPSA: 79.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.57
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide?

The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide (CID 8834661) is N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide.

What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide?

The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide is CC[C@@H](C)c1ccc([C@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1.

What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide?

The InChIKey is UFILVDRYUJMLGM-CRICUBBOSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-7-17(4)19-8-10-20(11-9-19)25(16(2)3)26-15-24(30)28-22-14-21(27-18(5)29)12-13-23(22)31-6/h8-14,16-17,25-26H,7,15H2,1-6H3,(H,27,29)(H,28,30)/t17-,25-/m1/s1.

What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide?

N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide has a molecular weight of 425.57 g/mol, XLogP of 5.09, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 8834661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).