N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen

C42H78N6O7 — CID 159082304

About N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen

N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen (PubChem CID 159082304) has the molecular formula C42H78N6O7 and a molecular weight of 779.12 g/mol. Its IUPAC name is N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen
• PubChem CID: 159082304
• Molecular Formula: C42H78N6O7
• Molecular Weight: 779.12 g/mol
• Exact Mass: 778.59
• IUPAC Name: N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCCCC[C@H](CC(=O)C(C)(C)CC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O.[H][H]
• InChI: InChI=1S/C42H76N6O7.H2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-39(51)47-24-25-54-26-27-55-32-40(52)46-23-20-19-21-34(41(44)53)28-38(50)42(2,3)30-37(49)36(43)29-35-31-45-33-48-35;/h31,33-34,36H,4-30,32,43H2,1-3H3,(H2,44,53)(H,45,48)(H,46,52)(H,47,51);1H/t34-,36+;/m1./s1
• InChIKey: KAZYKHDEODRGRS-KGYDHVLZSA-N
• XLogP: 6.27
• TPSA: 208.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 38
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.12
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

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-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen?

The IUPAC name of N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen (CID 159082304) is N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen.

What is the SMILES notation for N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen?

The canonical SMILES for N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen is CCCCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCCCC[C@H](CC(=O)C(C)(C)CC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O.[H][H].

What is the InChIKey of N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen?

The InChIKey is KAZYKHDEODRGRS-KGYDHVLZSA-N. The full InChI is InChI=1S/C42H76N6O7.H2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-39(51)47-24-25-54-26-27-55-32-40(52)46-23-20-19-21-34(41(44)53)28-38(50)42(2,3)30-37(49)36(43)29-35-31-45-33-48-35;/h31,33-34,36H,4-30,32,43H2,1-3H3,(H2,44,53)(H,45,48)(H,46,52)(H,47,51);1H/t34-,36+;/m1./s1.

What are the key properties of N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen?

N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen has a molecular weight of 779.12 g/mol, XLogP of 6.27, 38 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[[(5R,11S)-11-amino-5-carbamoyl-12-(1H-imidazol-5-yl)-8,8-dimethyl-7,10-dioxododecyl]amino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide;molecular hydrogen is sourced from PubChem (CID 159082304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).