N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane

C63H68IN3O11 — CID 159980710

IUPACN-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane
SMILESCC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2.CC(C)(C)C(=O)Nc1ccc2c(c1)c(O)c(O)c1ccccc12.COCCI.COCCOc1c(O)c2cc(NC(=O)C(C)(C)C)ccc2c2ccccc12
InChIInChI=1S/C22H25NO4.C19H19NO3.C19H17NO3.C3H7IO/c1-22(2,3)21(25)23-14-9-10-16-15-7-5-6-8-17(15)20(27-12-11-26-4)19(24)18(16)13-14;2*1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11;1-5-3-2-4/h5-10,13,24H,11-12H2,1-4H3,(H,23,25);4-10,21-22H,1-3H3,(H,20,23);4-10H,1-3H3,(H,20,23);2-3H2,1H3
InChIKeyOFSQILQYIQXWQA-UHFFFAOYSA-N
MW1170.15 g/mol
LogP13.88
Rot. Bonds9

About N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane

N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane (PubChem CID 159980710) has the molecular formula C63H68IN3O11 and a molecular weight of 1170.15 g/mol. Its IUPAC name is N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane.

Molecular Properties

Compound NameN-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane
PubChem CID159980710
Molecular FormulaC63H68IN3O11
Molecular Weight1170.15 g/mol
Exact Mass1169.39
IUPAC NameN-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane
SMILESCC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2.CC(C)(C)C(=O)Nc1ccc2c(c1)c(O)c(O)c1ccccc12.COCCI.COCCOc1c(O)c2cc(NC(=O)C(C)(C)C)ccc2c2ccccc12
InChIInChI=1S/C22H25NO4.C19H19NO3.C19H17NO3.C3H7IO/c1-22(2,3)21(25)23-14-9-10-16-15-7-5-6-8-17(15)20(27-12-11-26-4)19(24)18(16)13-14;2*1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11;1-5-3-2-4/h5-10,13,24H,11-12H2,1-4H3,(H,23,25);4-10,21-22H,1-3H3,(H,20,23);4-10H,1-3H3,(H,20,23);2-3H2,1H3
InChIKeyOFSQILQYIQXWQA-UHFFFAOYSA-N
XLogP13.88
TPSA209.82 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001170.15
LogP ≤ 513.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane?
The IUPAC name of N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane (CID 159980710) is N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane.
What is the SMILES notation for N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane?
The canonical SMILES for N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane is CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2.CC(C)(C)C(=O)Nc1ccc2c(c1)c(O)c(O)c1ccccc12.COCCI.COCCOc1c(O)c2cc(NC(=O)C(C)(C)C)ccc2c2ccccc12.
What is the InChIKey of N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane?
The InChIKey is OFSQILQYIQXWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4.C19H19NO3.C19H17NO3.C3H7IO/c1-22(2,3)21(25)23-14-9-10-16-15-7-5-6-8-17(15)20(27-12-11-26-4)19(24)18(16)13-14;2*1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11;1-5-3-2-4/h5-10,13,24H,11-12H2,1-4H3,(H,23,25);4-10,21-22H,1-3H3,(H,20,23);4-10H,1-3H3,(H,20,23);2-3H2,1H3.
What are the key properties of N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane?
N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane has a molecular weight of 1170.15 g/mol, XLogP of 13.88, 9 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dihydroxyphenanthren-2-yl)-2,2-dimethylpropanamide;N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide;N-[10-hydroxy-9-(2-methoxyethoxy)phenanthren-2-yl]-2,2-dimethylpropanamide;1-iodo-2-methoxyethane is sourced from PubChem (CID 159980710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).