N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide

C16H25NO3 — CID 39379617

IUPACN-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide
SMILESCc1cc(C)c(OCCCCCCC(=O)NO)cc1C
InChIInChI=1S/C16H25NO3/c1-12-10-14(3)15(11-13(12)2)20-9-7-5-4-6-8-16(18)17-19/h10-11,19H,4-9H2,1-3H3,(H,17,18)
InChIKeyHDCYERSTIQZJPC-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.45
Rot. Bonds8

About N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide

N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide (PubChem CID 39379617) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide
PubChem CID39379617
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide
SMILESCc1cc(C)c(OCCCCCCC(=O)NO)cc1C
InChIInChI=1S/C16H25NO3/c1-12-10-14(3)15(11-13(12)2)20-9-7-5-4-6-8-16(18)17-19/h10-11,19H,4-9H2,1-3H3,(H,17,18)
InChIKeyHDCYERSTIQZJPC-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
7-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-N-hydroxyheptanamide
CID 134426097
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide
CID 71616935
6-(5-fluoro-2-methylphenoxy)hexanehydrazide
CID 102987680
N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide
CID 46872843
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
CID 113101254
7-(3-ethylphenoxy)-N-hydroxyheptanamide
CID 39364757
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
1-(3-bromopropoxy)-2,4,5-trimethylbenzene
CID 82089154
N-hydroxy-6-(2-oxochromen-4-yl)oxyhexanamide
CID 169095175

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide?
The IUPAC name of N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide (CID 39379617) is N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide.
What is the SMILES notation for N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide?
The canonical SMILES for N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide is Cc1cc(C)c(OCCCCCCC(=O)NO)cc1C.
What is the InChIKey of N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide?
The InChIKey is HDCYERSTIQZJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-10-14(3)15(11-13(12)2)20-9-7-5-4-6-8-16(18)17-19/h10-11,19H,4-9H2,1-3H3,(H,17,18).
What are the key properties of N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide?
N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide has a molecular weight of 279.38 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide is sourced from PubChem (CID 39379617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).