2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide

C29H47N5O5 — CID 18965087

About 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide

2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide (PubChem CID 18965087) has the molecular formula C29H47N5O5 and a molecular weight of 545.73 g/mol. Its IUPAC name is 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
• PubChem CID: 18965087
• Molecular Formula: C29H47N5O5
• Molecular Weight: 545.73 g/mol
• Exact Mass: 545.36
• IUPAC Name: 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
• SMILES: CCCC(NC(=O)N1C(=O)C(CC)(CC)C1OCC(=O)N(CC)CCN(CC)CC(N)=O)c1ccc(C)cc1
• InChI: InChI=1S/C29H47N5O5/c1-7-12-23(22-15-13-21(6)14-16-22)31-28(38)34-26(37)29(8-2,9-3)27(34)39-20-25(36)33(11-5)18-17-32(10-4)19-24(30)35/h13-16,23,27H,7-12,17-20H2,1-6H3,(H2,30,35)(H,31,38)
• InChIKey: UYCRPIMBCBDQQW-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 125.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.73
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide?

The IUPAC name of 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide (CID 18965087) is 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide.

What is the SMILES notation for 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide?

The canonical SMILES for 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide is CCCC(NC(=O)N1C(=O)C(CC)(CC)C1OCC(=O)N(CC)CCN(CC)CC(N)=O)c1ccc(C)cc1.

What is the InChIKey of 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide?

The InChIKey is UYCRPIMBCBDQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47N5O5/c1-7-12-23(22-15-13-21(6)14-16-22)31-28(38)34-26(37)29(8-2,9-3)27(34)39-20-25(36)33(11-5)18-17-32(10-4)19-24(30)35/h13-16,23,27H,7-12,17-20H2,1-6H3,(H2,30,35)(H,31,38).

What are the key properties of 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide?

2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide has a molecular weight of 545.73 g/mol, XLogP of 3.19, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[(2-amino-2-oxoethyl)-ethylamino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide is sourced from PubChem (CID 18965087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).