(7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide

C24H28N2O3 — CID 129082789

IUPAC(7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide
SMILESCN(C/C=C/c1ccccc1)CC[C@@]1(C=O)CCc2ccc(C(=O)NO)cc2C1
InChIInChI=1S/C24H28N2O3/c1-26(14-5-8-19-6-3-2-4-7-19)15-13-24(18-27)12-11-20-9-10-21(23(28)25-29)16-22(20)17-24/h2-10,16,18,29H,11-15,17H2,1H3,(H,25,28)/b8-5+/t24-/m0/s1
InChIKeyXRFQZYDDFFJVNL-LNJOJYBOSA-N
MW392.50 g/mol
LogP3.51
Rot. Bonds8

About (7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide

(7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide (PubChem CID 129082789) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name(7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide
PubChem CID129082789
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide
SMILESCN(C/C=C/c1ccccc1)CC[C@@]1(C=O)CCc2ccc(C(=O)NO)cc2C1
InChIInChI=1S/C24H28N2O3/c1-26(14-5-8-19-6-3-2-4-7-19)15-13-24(18-27)12-11-20-9-10-21(23(28)25-29)16-22(20)17-24/h2-10,16,18,29H,11-15,17H2,1H3,(H,25,28)/b8-5+/t24-/m0/s1
InChIKeyXRFQZYDDFFJVNL-LNJOJYBOSA-N
XLogP3.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[(E)-2-(4-methylphenyl)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 60168030
2-[(E)-2,3-diphenylprop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 60198453
2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide
CID 155598311
4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide
CID 145865296
N-[[4-[(hydroxyamino)carbonyl]phenyl]methyl]-2-naphthalenecarboxamide
CID 9797137
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717
(E)-N-hydroxy-3-(3-{(E)-3-[2-(4-methyl-piperazin-1-yl-methyl)-phenyl]-3-oxo-propenyl}-phenyl)-acrylamide
CID 25206850
N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide
CID 42598944
N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide
CID 42599458
Naphthalene-2-carboxylic acid (5-hydroxycarbamoylpentyl)amide
CID 42599459
2-(2,2-dimethylpropanoyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 49855444
2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 58147140

Frequently Asked Questions

What is the IUPAC name of (7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide?
The IUPAC name of (7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide (CID 129082789) is (7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide.
What is the SMILES notation for (7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide?
The canonical SMILES for (7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide is CN(C/C=C/c1ccccc1)CC[C@@]1(C=O)CCc2ccc(C(=O)NO)cc2C1.
What is the InChIKey of (7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide?
The InChIKey is XRFQZYDDFFJVNL-LNJOJYBOSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-26(14-5-8-19-6-3-2-4-7-19)15-13-24(18-27)12-11-20-9-10-21(23(28)25-29)16-22(20)17-24/h2-10,16,18,29H,11-15,17H2,1H3,(H,25,28)/b8-5+/t24-/m0/s1.
What are the key properties of (7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide?
(7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-formyl-N-hydroxy-7-[2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-6,8-dihydro-5H-naphthalene-2-carboxamide is sourced from PubChem (CID 129082789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).