7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide

C19H24N2O3 — CID 89208200

IUPAC7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide
SMILESNc1ccc(-c2ccc(OCCCCCCC(=O)NO)cc2)cc1
InChIInChI=1S/C19H24N2O3/c20-17-10-6-15(7-11-17)16-8-12-18(13-9-16)24-14-4-2-1-3-5-19(22)21-23/h6-13,23H,1-5,14,20H2,(H,21,22)
InChIKeyNPRHMSNPQBZBCM-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.77
Rot. Bonds9

About 7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide

7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide (PubChem CID 89208200) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide
PubChem CID89208200
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide
SMILESNc1ccc(-c2ccc(OCCCCCCC(=O)NO)cc2)cc1
InChIInChI=1S/C19H24N2O3/c20-17-10-6-15(7-11-17)16-8-12-18(13-9-16)24-14-4-2-1-3-5-19(22)21-23/h6-13,23H,1-5,14,20H2,(H,21,22)
InChIKeyNPRHMSNPQBZBCM-UHFFFAOYSA-N
XLogP3.77
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

7-(4-cyclohexa-1,5-dien-3-yn-1-ylphenoxy)-N-hydroxyheptanamide
CID 142086769
6-(4-aminophenoxy)hexanoic acid
CID 3028577
(4-aminophenyl) 6-(4-aminophenoxy)hexanoate
CID 86294322
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
N,N'-bis[5-(4-aminophenoxy)pentyl]pentanediamide;methanesulfonic acid
CID 21150343
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide
CID 46872843
N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide
CID 90681607
4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 90681613
N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119547618
4-(4-aminophenoxy)butanoic acid
CID 14451763

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide?
The IUPAC name of 7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide (CID 89208200) is 7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide?
The canonical SMILES for 7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide is Nc1ccc(-c2ccc(OCCCCCCC(=O)NO)cc2)cc1.
What is the InChIKey of 7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide?
The InChIKey is NPRHMSNPQBZBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c20-17-10-6-15(7-11-17)16-8-12-18(13-9-16)24-14-4-2-1-3-5-19(22)21-23/h6-13,23H,1-5,14,20H2,(H,21,22).
What are the key properties of 7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide?
7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide has a molecular weight of 328.41 g/mol, XLogP of 3.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide is sourced from PubChem (CID 89208200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).