(6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide

C17H22N2O3 — CID 123412703

IUPAC(6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide
SMILESCNCc1ccc(C(=O)[C@H](C)C=C(C)C=CC(=O)NO)cc1
InChIInChI=1S/C17H22N2O3/c1-12(4-9-16(20)19-22)10-13(2)17(21)15-7-5-14(6-8-15)11-18-3/h4-10,13,18,22H,11H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyGFCPAMYIIRJQOP-CYBMUJFWSA-N
MW302.37 g/mol
LogP2.23
Rot. Bonds7

About (6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide

(6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide (PubChem CID 123412703) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide.

Molecular Properties

Compound Name(6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide
PubChem CID123412703
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide
SMILESCNCc1ccc(C(=O)[C@H](C)C=C(C)C=CC(=O)NO)cc1
InChIInChI=1S/C17H22N2O3/c1-12(4-9-16(20)19-22)10-13(2)17(21)15-7-5-14(6-8-15)11-18-3/h4-10,13,18,22H,11H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyGFCPAMYIIRJQOP-CYBMUJFWSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
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 (6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide?
The IUPAC name of (6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide (CID 123412703) is (6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide.
What is the SMILES notation for (6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide?
The canonical SMILES for (6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide is CNCc1ccc(C(=O)[C@H](C)C=C(C)C=CC(=O)NO)cc1.
What is the InChIKey of (6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide?
The InChIKey is GFCPAMYIIRJQOP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(4-9-16(20)19-22)10-13(2)17(21)15-7-5-14(6-8-15)11-18-3/h4-10,13,18,22H,11H2,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide?
(6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide has a molecular weight of 302.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide is sourced from PubChem (CID 123412703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).