N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide

C34H49N5O3 — CID 11028232

About N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide

N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide (PubChem CID 11028232) has the molecular formula C34H49N5O3 and a molecular weight of 575.80 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
• PubChem CID: 11028232
• Molecular Formula: C34H49N5O3
• Molecular Weight: 575.80 g/mol
• Exact Mass: 575.38
• IUPAC Name: N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
• SMILES: CN1CCCC1CCN(CC(=O)N(CC(N)=O)C1CCCCC1)C(=O)CNCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C34H49N5O3/c1-37-22-11-18-29(37)20-23-38(26-34(42)39(25-32(35)40)30-16-9-4-10-17-30)33(41)24-36-21-19-31(27-12-5-2-6-13-27)28-14-7-3-8-15-28/h2-3,5-8,12-15,29-31,36H,4,9-11,16-26H2,1H3,(H2,35,40)
• InChIKey: JZPWKAMKYSVTOR-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 98.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.80
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?

The IUPAC name of N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide (CID 11028232) is N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide.

What is the SMILES notation for N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?

The canonical SMILES for N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide is CN1CCCC1CCN(CC(=O)N(CC(N)=O)C1CCCCC1)C(=O)CNCCC(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?

The InChIKey is JZPWKAMKYSVTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49N5O3/c1-37-22-11-18-29(37)20-23-38(26-34(42)39(25-32(35)40)30-16-9-4-10-17-30)33(41)24-36-21-19-31(27-12-5-2-6-13-27)28-14-7-3-8-15-28/h2-3,5-8,12-15,29-31,36H,4,9-11,16-26H2,1H3,(H2,35,40).

What are the key properties of N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?

N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide has a molecular weight of 575.80 g/mol, XLogP of 3.76, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2-amino-2-oxoethyl)-cyclohexylamino]-2-oxoethyl]-2-(3,3-diphenylpropylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 11028232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).