N-hydroxy-7-phenylhepta-2,4,6-trienamide

C13H13NO2 — CID 71362968

IUPACN-hydroxy-7-phenylhepta-2,4,6-trienamide
SMILESO=C(C=CC=CC=Cc1ccccc1)NO
InChIInChI=1S/C13H13NO2/c15-13(14-16)11-7-2-1-4-8-12-9-5-3-6-10-12/h1-11,16H,(H,14,15)
InChIKeyDBBYYRWVNDQECM-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.32
Rot. Bonds4

About N-hydroxy-7-phenylhepta-2,4,6-trienamide

N-hydroxy-7-phenylhepta-2,4,6-trienamide (PubChem CID 71362968) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-hydroxy-7-phenylhepta-2,4,6-trienamide.

Molecular Properties

Compound NameN-hydroxy-7-phenylhepta-2,4,6-trienamide
PubChem CID71362968
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-hydroxy-7-phenylhepta-2,4,6-trienamide
SMILESO=C(C=CC=CC=Cc1ccccc1)NO
InChIInChI=1S/C13H13NO2/c15-13(14-16)11-7-2-1-4-8-12-9-5-3-6-10-12/h1-11,16H,(H,14,15)
InChIKeyDBBYYRWVNDQECM-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
CID 11593830
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
(2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide
CID 125484977
N-hydroxy-5-(2-phenylphenyl)penta-2,4-dienamide
CID 173095645
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
N-hydroxy-5-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]pentanamide
CID 57495401
N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide
CID 85068732
(2E,4E)-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
CID 21176370
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-phenylhepta-2,4,6-trienamide?
The IUPAC name of N-hydroxy-7-phenylhepta-2,4,6-trienamide (CID 71362968) is N-hydroxy-7-phenylhepta-2,4,6-trienamide.
What is the SMILES notation for N-hydroxy-7-phenylhepta-2,4,6-trienamide?
The canonical SMILES for N-hydroxy-7-phenylhepta-2,4,6-trienamide is O=C(C=CC=CC=Cc1ccccc1)NO.
What is the InChIKey of N-hydroxy-7-phenylhepta-2,4,6-trienamide?
The InChIKey is DBBYYRWVNDQECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(14-16)11-7-2-1-4-8-12-9-5-3-6-10-12/h1-11,16H,(H,14,15).
What are the key properties of N-hydroxy-7-phenylhepta-2,4,6-trienamide?
N-hydroxy-7-phenylhepta-2,4,6-trienamide has a molecular weight of 215.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-phenylhepta-2,4,6-trienamide is sourced from PubChem (CID 71362968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).