N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide

C23H23N5O6 — CID 45269423

IUPACN-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide
SMILESO=C(CCCCCC(c1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]c2ccc([N+](=O)[O-])cc12)NO
InChIInChI=1S/C23H23N5O6/c29-23(26-30)5-3-1-2-4-16(19-12-24-21-8-6-14(27(31)32)10-17(19)21)20-13-25-22-9-7-15(28(33)34)11-18(20)22/h6-13,16,24-25,30H,1-5H2,(H,26,29)
InChIKeyVSVDNXSUROYWOP-UHFFFAOYSA-N
MW465.47 g/mol
LogP5.05
Rot. Bonds10

About N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide

N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide (PubChem CID 45269423) has the molecular formula C23H23N5O6 and a molecular weight of 465.47 g/mol. Its IUPAC name is N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide
PubChem CID45269423
Molecular FormulaC23H23N5O6
Molecular Weight465.47 g/mol
Exact Mass465.16
IUPAC NameN-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide
SMILESO=C(CCCCCC(c1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]c2ccc([N+](=O)[O-])cc12)NO
InChIInChI=1S/C23H23N5O6/c29-23(26-30)5-3-1-2-4-16(19-12-24-21-8-6-14(27(31)32)10-17(19)21)20-13-25-22-9-7-15(28(33)34)11-18(20)22/h6-13,16,24-25,30H,1-5H2,(H,26,29)
InChIKeyVSVDNXSUROYWOP-UHFFFAOYSA-N
XLogP5.05
TPSA167.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.47
LogP ≤ 55.05
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'}

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Related Compounds

6-[(5-nitro-1H-indole-3-carbonyl)amino]hexanoic acid
CID 119220047
N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide
CID 175583205
methyl (2S)-3,3,3-trifluoro-2-(5-nitro-1H-indol-3-yl)propanoate
CID 125474614
3-(5-chloro-1H-indol-3-yl)-3-(3-nitrophenyl)-N-phenylpropanamide
CID 42808765
3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91635094
N-hydroxy-5-(4-nitrophenyl)pentanamide
CID 142619075
3-(2-fluoro-5-methylphenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 90488529
1-(5-nitro-1H-indol-3-yl)propan-2-ol
CID 11218277
6-nitro-3-pentanoyl-1H-quinolin-4-one
CID 44560519
3-[cyclopenta-1,3-dien-1-yl-(5-nitro-1H-indol-3-yl)methyl]-5-nitro-1H-indole
CID 139241936
(3S)-N-(3,3-diphenylpropyl)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93122634
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-(5-nitro-1H-indol-3-yl)acetate
CID 11037144

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide?
The IUPAC name of N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide (CID 45269423) is N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide.
What is the SMILES notation for N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide?
The canonical SMILES for N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide is O=C(CCCCCC(c1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]c2ccc([N+](=O)[O-])cc12)NO.
What is the InChIKey of N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide?
The InChIKey is VSVDNXSUROYWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O6/c29-23(26-30)5-3-1-2-4-16(19-12-24-21-8-6-14(27(31)32)10-17(19)21)20-13-25-22-9-7-15(28(33)34)11-18(20)22/h6-13,16,24-25,30H,1-5H2,(H,26,29).
What are the key properties of N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide?
N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide has a molecular weight of 465.47 g/mol, XLogP of 5.05, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide is sourced from PubChem (CID 45269423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).