N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide

C21H24N2O3 — CID 85325370

IUPACN-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide
SMILESO=C(C=CC=Cc1cccc2ccccc12)NCCCCCC(=O)NO
InChIInChI=1S/C21H24N2O3/c24-20(22-16-7-1-2-15-21(25)23-26)14-6-4-10-18-12-8-11-17-9-3-5-13-19(17)18/h3-6,8-14,26H,1-2,7,15-16H2,(H,22,24)(H,23,25)
InChIKeyIFDKTBYIWUSLJA-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.59
Rot. Bonds9

About N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide

N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide (PubChem CID 85325370) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide
PubChem CID85325370
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide
SMILESO=C(C=CC=Cc1cccc2ccccc12)NCCCCCC(=O)NO
InChIInChI=1S/C21H24N2O3/c24-20(22-16-7-1-2-15-21(25)23-26)14-6-4-10-18-12-8-11-17-9-3-5-13-19(17)18/h3-6,8-14,26H,1-2,7,15-16H2,(H,22,24)(H,23,25)
InChIKeyIFDKTBYIWUSLJA-UHFFFAOYSA-N
XLogP3.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.59
H-Bond Donors ≤ 53
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide
CID 85068732
N-hydroxy-5-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]pentanamide
CID 57495401
methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate
CID 66958409
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide
CID 58248767
(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide
CID 58248666
(E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide
CID 58945391
methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate
CID 76543369
(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082
7-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]heptanoic acid
CID 43240080
8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
CID 89351391
N-hydroxy-2-methyl-6-(5-phenylpenta-2,4-dienoylamino)hexanamide
CID 76543367

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide?
The IUPAC name of N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide (CID 85325370) is N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide.
What is the SMILES notation for N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide?
The canonical SMILES for N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide is O=C(C=CC=Cc1cccc2ccccc12)NCCCCCC(=O)NO.
What is the InChIKey of N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide?
The InChIKey is IFDKTBYIWUSLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(22-16-7-1-2-15-21(25)23-26)14-6-4-10-18-12-8-11-17-9-3-5-13-19(17)18/h3-6,8-14,26H,1-2,7,15-16H2,(H,22,24)(H,23,25).
What are the key properties of N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide?
N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide has a molecular weight of 352.43 g/mol, XLogP of 3.59, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide is sourced from PubChem (CID 85325370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).