N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide

C28H33N3O5 — CID 53340782

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(C(=O)NCCCCCCC(=O)NO)cc2)cc1
InChIInChI=1S/C28H33N3O5/c1-35-25-16-12-23(13-17-25)31(24-14-18-26(36-2)19-15-24)22-10-8-21(9-11-22)28(33)29-20-6-4-3-5-7-27(32)30-34/h8-19,34H,3-7,20H2,1-2H3,(H,29,33)(H,30,32)
InChIKeySAMMKIWLCHUDTB-UHFFFAOYSA-N
MW491.59 g/mol
LogP5.36
Rot. Bonds13

About N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide

N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide (PubChem CID 53340782) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
PubChem CID53340782
Molecular FormulaC28H33N3O5
Molecular Weight491.59 g/mol
Exact Mass491.24
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(C(=O)NCCCCCCC(=O)NO)cc2)cc1
InChIInChI=1S/C28H33N3O5/c1-35-25-16-12-23(13-17-25)31(24-14-18-26(36-2)19-15-24)22-10-8-21(9-11-22)28(33)29-20-6-4-3-5-7-27(32)30-34/h8-19,34H,3-7,20H2,1-2H3,(H,29,33)(H,30,32)
InChIKeySAMMKIWLCHUDTB-UHFFFAOYSA-N
XLogP5.36
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 55.36
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
4-methoxy-N-pentylbenzamide
CID 3113360
N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide
CID 86581151
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
N-(7,7-dimethyloctyl)-4-methoxybenzamide
CID 168820142
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 10133172
4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
CID 10039928

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide (CID 53340782) is N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide is COc1ccc(N(c2ccc(OC)cc2)c2ccc(C(=O)NCCCCCCC(=O)NO)cc2)cc1.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide?
The InChIKey is SAMMKIWLCHUDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-35-25-16-12-23(13-17-25)31(24-14-18-26(36-2)19-15-24)22-10-8-21(9-11-22)28(33)29-20-6-4-3-5-7-27(32)30-34/h8-19,34H,3-7,20H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide has a molecular weight of 491.59 g/mol, XLogP of 5.36, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide is sourced from PubChem (CID 53340782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).