N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide

C26H41Cl2N5O3 — CID 11114256

About N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide

N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide (PubChem CID 11114256) has the molecular formula C26H41Cl2N5O3 and a molecular weight of 542.55 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
• PubChem CID: 11114256
• Molecular Formula: C26H41Cl2N5O3
• Molecular Weight: 542.55 g/mol
• Exact Mass: 541.26
• IUPAC Name: N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
• SMILES: CC(C)CCN(CC(N)=O)C(=O)CN(CCC1CCCN1C)C(=O)CNCCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C26H41Cl2N5O3/c1-19(2)9-13-32(17-24(29)34)26(36)18-33(14-10-22-5-4-12-31(22)3)25(35)16-30-11-8-20-6-7-21(27)15-23(20)28/h6-7,15,19,22,30H,4-5,8-14,16-18H2,1-3H3,(H2,29,34)
• InChIKey: KDXXPMVPVVPART-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 98.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.55
LogP ≤ 5	2.80
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)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?

The IUPAC name of N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide (CID 11114256) is N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide.

What is the SMILES notation for N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?

The canonical SMILES for N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide is CC(C)CCN(CC(N)=O)C(=O)CN(CCC1CCCN1C)C(=O)CNCCc1ccc(Cl)cc1Cl.

What is the InChIKey of N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?

The InChIKey is KDXXPMVPVVPART-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41Cl2N5O3/c1-19(2)9-13-32(17-24(29)34)26(36)18-33(14-10-22-5-4-12-31(22)3)25(35)16-30-11-8-20-6-7-21(27)15-23(20)28/h6-7,15,19,22,30H,4-5,8-14,16-18H2,1-3H3,(H2,29,34).

What are the key properties of N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?

N-[2-[(2-amino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide has a molecular weight of 542.55 g/mol, XLogP of 2.80, 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)-(3-methylbutyl)amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 11114256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).