N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide

C24H28N4O6 — CID 175583205

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCCCCCCC(=O)NO)ccc1Cc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C24H28N4O6/c1-34-22-13-17(24(30)25-11-5-3-2-4-6-23(29)27-31)8-7-16(22)12-18-15-26-21-10-9-19(28(32)33)14-20(18)21/h7-10,13-15,26,31H,2-6,11-12H2,1H3,(H,25,30)(H,27,29)
InChIKeyVRDWMRZHZBRHSN-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.86
Rot. Bonds12

About N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide

N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide (PubChem CID 175583205) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide
PubChem CID175583205
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCCCCCCC(=O)NO)ccc1Cc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C24H28N4O6/c1-34-22-13-17(24(30)25-11-5-3-2-4-6-23(29)27-31)8-7-16(22)12-18-15-26-21-10-9-19(28(32)33)14-20(18)21/h7-10,13-15,26,31H,2-6,11-12H2,1H3,(H,25,30)(H,27,29)
InChIKeyVRDWMRZHZBRHSN-UHFFFAOYSA-N
XLogP3.86
TPSA146.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide with MolForge

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Related Compounds

methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate
CID 10364106
methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate
CID 11100285
methyl 4-[(5-bromo-6-nitro-1H-indol-3-yl)methyl]-3-methoxybenzoate
CID 70474471
6-[(5-nitro-1H-indole-3-carbonyl)amino]hexanoic acid
CID 119220047
N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide
CID 45269423
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-nitrobenzamide
CID 2038867
N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide
CID 46890621
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
N-(2-ethenoxyphenyl)sulfonyl-3-methoxy-4-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide
CID 67916721
3-[(6-nitro-1H-indol-3-yl)methyl]-1H-indole-5-carboxylic acid
CID 166517326
3-[(5-methoxy-1H-indol-3-yl)methyl]-6-nitro-1H-indole
CID 166517333
N-[7-(hydroxyamino)-7-oxoheptyl]-4-[[5-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methyl]benzamide
CID 171482053

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide (CID 175583205) is N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide is COc1cc(C(=O)NCCCCCCC(=O)NO)ccc1Cc1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide?
The InChIKey is VRDWMRZHZBRHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6/c1-34-22-13-17(24(30)25-11-5-3-2-4-6-23(29)27-31)8-7-16(22)12-18-15-26-21-10-9-19(28(32)33)14-20(18)21/h7-10,13-15,26,31H,2-6,11-12H2,1H3,(H,25,30)(H,27,29).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide has a molecular weight of 468.51 g/mol, XLogP of 3.86, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide is sourced from PubChem (CID 175583205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).