5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane

C30H35N3O10 — CID 158083548

About 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane

5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane (PubChem CID 158083548) has the molecular formula C30H35N3O10 and a molecular weight of 597.62 g/mol. Its IUPAC name is 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane.

Molecular Properties

• Compound Name: 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane
• PubChem CID: 158083548
• Molecular Formula: C30H35N3O10
• Molecular Weight: 597.62 g/mol
• Exact Mass: 597.23
• IUPAC Name: 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane
• SMILES: C.COCCNC(=O)c1ccc(-c2ccc(O)c3c2C[C@H]2C[C@H]4[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C2=C3O)o1
• InChI: InChI=1S/C29H31N3O10.CH4/c1-32(2)22-15-11-12-10-14-13(17-6-7-18(42-17)28(39)31-8-9-41-3)4-5-16(33)20(14)23(34)19(12)25(36)29(15,40)26(37)21(24(22)35)27(30)38;/h4-7,12,15,22,33-34,37,40H,8-11H2,1-3H3,(H2,30,38)(H,31,39);1H4/t12-,15-,22-,29-;/m0./s1
• InChIKey: AJGLPJIJCBXVRZ-QXOZNYLDSA-N
• XLogP: 1.24
• TPSA: 212.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	597.62
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane?

The IUPAC name of 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane (CID 158083548) is 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane.

What is the SMILES notation for 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane?

The canonical SMILES for 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane is C.COCCNC(=O)c1ccc(-c2ccc(O)c3c2C[C@H]2C[C@H]4[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C2=C3O)o1.

What is the InChIKey of 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane?

The InChIKey is AJGLPJIJCBXVRZ-QXOZNYLDSA-N. The full InChI is InChI=1S/C29H31N3O10.CH4/c1-32(2)22-15-11-12-10-14-13(17-6-7-18(42-17)28(39)31-8-9-41-3)4-5-16(33)20(14)23(34)19(12)25(36)29(15,40)26(37)21(24(22)35)27(30)38;/h4-7,12,15,22,33-34,37,40H,8-11H2,1-3H3,(H2,30,38)(H,31,39);1H4/t12-,15-,22-,29-;/m0./s1.

What are the key properties of 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane?

5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane has a molecular weight of 597.62 g/mol, XLogP of 1.24, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-(2-methoxyethyl)furan-2-carboxamide;methane is sourced from PubChem (CID 158083548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).