7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide

C22H29N3O4 — CID 11372956

IUPAC7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
SMILESCOc1ccc(N(CCCCCCC(=O)NO)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O4/c1-29-20-14-12-19(13-15-20)25(16-8-3-2-7-11-21(26)24-28)22(27)23-17-18-9-5-4-6-10-18/h4-6,9-10,12-15,28H,2-3,7-8,11,16-17H2,1H3,(H,23,27)(H,24,26)
InChIKeyVWQNNOOGTPHSBY-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.87
Rot. Bonds11

About 7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide

7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide (PubChem CID 11372956) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
PubChem CID11372956
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
SMILESCOc1ccc(N(CCCCCCC(=O)NO)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O4/c1-29-20-14-12-19(13-15-20)25(16-8-3-2-7-11-21(26)24-28)22(27)23-17-18-9-5-4-6-10-18/h4-6,9-10,12-15,28H,2-3,7-8,11,16-17H2,1H3,(H,23,27)(H,24,26)
InChIKeyVWQNNOOGTPHSBY-UHFFFAOYSA-N
XLogP3.87
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide
CID 142976467
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
(E)-N-(benzylcarbamoyl)-N-(4-methoxyphenyl)-4-oxopent-2-enamide
CID 11175599
N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide
CID 58074153
1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-3-[(3-methoxyphenyl)methyl]urea
CID 71654971
[4-[4-[benzylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate
CID 90692041
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide
CID 25226359
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
CID 53340782
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838

Frequently Asked Questions

What is the IUPAC name of 7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide?
The IUPAC name of 7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide (CID 11372956) is 7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide is COc1ccc(N(CCCCCCC(=O)NO)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide?
The InChIKey is VWQNNOOGTPHSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-29-20-14-12-19(13-15-20)25(16-8-3-2-7-11-21(26)24-28)22(27)23-17-18-9-5-4-6-10-18/h4-6,9-10,12-15,28H,2-3,7-8,11,16-17H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide?
7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide has a molecular weight of 399.49 g/mol, XLogP of 3.87, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide is sourced from PubChem (CID 11372956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).