N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide

C36H39N5O5 — CID 10817669

About N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide

N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide (PubChem CID 10817669) has the molecular formula C36H39N5O5 and a molecular weight of 621.74 g/mol. Its IUPAC name is N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide
• PubChem CID: 10817669
• Molecular Formula: C36H39N5O5
• Molecular Weight: 621.74 g/mol
• Exact Mass: 621.30
• IUPAC Name: N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide
• SMILES: Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3cc(C)cc(C)c3)c2)c1
• InChI: InChI=1S/C36H39N5O5/c1-25-11-9-12-28(18-25)38-36(45)37-22-33(42)41(23-34(43)39(4)29-13-7-6-8-14-29)30-15-10-16-32(21-30)46-24-35(44)40(5)31-19-26(2)17-27(3)20-31/h6-21H,22-24H2,1-5H3,(H2,37,38,45)
• InChIKey: AUBQXXQMEAGSNT-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.74
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide?

The IUPAC name of N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide (CID 10817669) is N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide.

What is the SMILES notation for N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide?

The canonical SMILES for N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide is Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3cc(C)cc(C)c3)c2)c1.

What is the InChIKey of N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide?

The InChIKey is AUBQXXQMEAGSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N5O5/c1-25-11-9-12-28(18-25)38-36(45)37-22-33(42)41(23-34(43)39(4)29-13-7-6-8-14-29)30-15-10-16-32(21-30)46-24-35(44)40(5)31-19-26(2)17-27(3)20-31/h6-21H,22-24H2,1-5H3,(H2,37,38,45).

What are the key properties of N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide?

N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide has a molecular weight of 621.74 g/mol, XLogP of 5.47, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide is sourced from PubChem (CID 10817669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).