(2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide

C17H24N2O3 — CID 134460952

IUPAC(2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
SMILESCC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)C1=CCC(N(C)C)C=C1
InChIInChI=1S/C17H24N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-8,10-11,13,15,22H,9H2,1-4H3,(H,18,20)/b10-5+,12-11+/t13-,15?/m1/s1
InChIKeyRIUCUKIJYRMVCB-WKCHHASASA-N
MW304.39 g/mol
LogP2.02
Rot. Bonds6

About (2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide

(2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide (PubChem CID 134460952) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
PubChem CID134460952
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
SMILESCC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)C1=CCC(N(C)C)C=C1
InChIInChI=1S/C17H24N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-8,10-11,13,15,22H,9H2,1-4H3,(H,18,20)/b10-5+,12-11+/t13-,15?/m1/s1
InChIKeyRIUCUKIJYRMVCB-WKCHHASASA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide?
The IUPAC name of (2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide (CID 134460952) is (2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide.
What is the SMILES notation for (2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide?
The canonical SMILES for (2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide is CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)C1=CCC(N(C)C)C=C1.
What is the InChIKey of (2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide?
The InChIKey is RIUCUKIJYRMVCB-WKCHHASASA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-8,10-11,13,15,22H,9H2,1-4H3,(H,18,20)/b10-5+,12-11+/t13-,15?/m1/s1.
What are the key properties of (2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide?
(2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide has a molecular weight of 304.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide is sourced from PubChem (CID 134460952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).