N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide

C18H24N2O3 — CID 85068732

IUPACN-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide
SMILESO=C(C=CC=Cc1ccccc1)NCCCCCCC(=O)NO
InChIInChI=1S/C18H24N2O3/c21-17(13-8-7-12-16-10-4-3-5-11-16)19-15-9-2-1-6-14-18(22)20-23/h3-5,7-8,10-13,23H,1-2,6,9,14-15H2,(H,19,21)(H,20,22)
InChIKeyRBGPABVQDTUYKU-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.83
Rot. Bonds10

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

N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide (PubChem CID 85068732) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide
PubChem CID85068732
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide
SMILESO=C(C=CC=Cc1ccccc1)NCCCCCCC(=O)NO
InChIInChI=1S/C18H24N2O3/c21-17(13-8-7-12-16-10-4-3-5-11-16)19-15-9-2-1-6-14-18(22)20-23/h3-5,7-8,10-13,23H,1-2,6,9,14-15H2,(H,19,21)(H,20,22)
InChIKeyRBGPABVQDTUYKU-UHFFFAOYSA-N
XLogP2.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.83
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-5-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]pentanamide
CID 57495401
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide
CID 85325370
N-hydroxy-2-methyl-6-(5-phenylpenta-2,4-dienoylamino)hexanamide
CID 76543367
(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide
CID 58248666
N-hydroxy-7-phenylhepta-2,4,6-trienamide
CID 71362968
methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate
CID 76543369
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
(7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide
CID 58248651
N-hydroxy-6-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 42599942
(2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide
CID 70372352

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide?
The IUPAC name of N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide (CID 85068732) is N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide.
What is the SMILES notation for N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide?
The canonical SMILES for N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide is O=C(C=CC=Cc1ccccc1)NCCCCCCC(=O)NO.
What is the InChIKey of N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide?
The InChIKey is RBGPABVQDTUYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(13-8-7-12-16-10-4-3-5-11-16)19-15-9-2-1-6-14-18(22)20-23/h3-5,7-8,10-13,23H,1-2,6,9,14-15H2,(H,19,21)(H,20,22).
What are the key properties of N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide?
N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide has a molecular weight of 316.40 g/mol, XLogP of 2.83, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide is sourced from PubChem (CID 85068732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).