N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum

C32H43LaN6O4- — CID 162683121

About N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum

N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum (PubChem CID 162683121) has the molecular formula C32H43LaN6O4- and a molecular weight of 714.64 g/mol. Its IUPAC name is N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum.

Molecular Properties

• Compound Name: N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum
• PubChem CID: 162683121
• Molecular Formula: C32H43LaN6O4-
• Molecular Weight: 714.64 g/mol
• Exact Mass: 714.24
• IUPAC Name: N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum
• SMILES: CC(/C=C(\N)c1ccccc1OCc1ccc(NC(=O)C(CCCCN(C)C)NC(=O)C2([C-]=O)CCC2)cc1)=C(N)N.[La]
• InChI: InChI=1S/C32H43N6O4.La/c1-22(29(34)35)19-26(33)25-9-4-5-11-28(25)42-20-23-12-14-24(15-13-23)36-30(40)27(10-6-7-18-38(2)3)37-31(41)32(21-39)16-8-17-32;/h4-5,9,11-15,19,27H,6-8,10,16-18,20,33-35H2,1-3H3,(H,36,40)(H,37,41);/q-1;/b26-19-
• InChIKey: UVXXBTXVGUCRHS-XDUZALLESA-N
• XLogP: 3.15
• TPSA: 165.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	714.64
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum?

The IUPAC name of N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum (CID 162683121) is N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum.

What is the SMILES notation for N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum?

The canonical SMILES for N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum is CC(/C=C(\N)c1ccccc1OCc1ccc(NC(=O)C(CCCCN(C)C)NC(=O)C2([C-]=O)CCC2)cc1)=C(N)N.[La].

What is the InChIKey of N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum?

The InChIKey is UVXXBTXVGUCRHS-XDUZALLESA-N. The full InChI is InChI=1S/C32H43N6O4.La/c1-22(29(34)35)19-26(33)25-9-4-5-11-28(25)42-20-23-12-14-24(15-13-23)36-30(40)27(10-6-7-18-38(2)3)37-31(41)32(21-39)16-8-17-32;/h4-5,9,11-15,19,27H,6-8,10,16-18,20,33-35H2,1-3H3,(H,36,40)(H,37,41);/q-1;/b26-19-;.

What are the key properties of N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum?

N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum has a molecular weight of 714.64 g/mol, XLogP of 3.15, 15 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(dimethylamino)-1-oxo-1-[4-[[2-[(1Z)-1,4,4-triamino-3-methylbuta-1,3-dienyl]phenoxy]methyl]anilino]hexan-2-yl]-1-(oxomethyl)cyclobutane-1-carboxamide;lanthanum is sourced from PubChem (CID 162683121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).