N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide

C24H35NO4 — CID 54393506

IUPACN-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide
SMILESCC(C)(CCC=CC[C@@H]1[C@H](CCOCc2ccccc2)[C@@H]2CC[C@H]1O2)C(=O)NO
InChIInChI=1S/C24H35NO4/c1-24(2,23(26)25-27)15-8-4-7-11-19-20(22-13-12-21(19)29-22)14-16-28-17-18-9-5-3-6-10-18/h3-7,9-10,19-22,27H,8,11-17H2,1-2H3,(H,25,26)/t19-,20+,21-,22+/m1/s1
InChIKeyVIHWMYMZICNJBC-MBDNFAEBSA-N
MW401.55 g/mol
LogP4.64
Rot. Bonds11

About N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide

N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide (PubChem CID 54393506) has the molecular formula C24H35NO4 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide.

Molecular Properties

Compound NameN-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide
PubChem CID54393506
Molecular FormulaC24H35NO4
Molecular Weight401.55 g/mol
Exact Mass401.26
IUPAC NameN-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide
SMILESCC(C)(CCC=CC[C@@H]1[C@H](CCOCc2ccccc2)[C@@H]2CC[C@H]1O2)C(=O)NO
InChIInChI=1S/C24H35NO4/c1-24(2,23(26)25-27)15-8-4-7-11-19-20(22-13-12-21(19)29-22)14-16-28-17-18-9-5-3-6-10-18/h3-7,9-10,19-22,27H,8,11-17H2,1-2H3,(H,25,26)/t19-,20+,21-,22+/m1/s1
InChIKeyVIHWMYMZICNJBC-MBDNFAEBSA-N
XLogP4.64
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-7-[(1S,2S,3R,4R)-3-(2-hexoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-N-hydroxy-2,2-dimethylhept-5-enamide
CID 88661269
(5Z)-7-[(1S,2S,3R,4R)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hepta-3,5-dienoic acid
CID 88675998
(Z)-N-hydroxy-2,2-dimethyl-7-[(1S,2S,3R,4R)-3-(8-phenyloct-5-ynylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide
CID 88661966
[[(Z)-7-[(1S,2S,3S,4R)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,2-dimethylhept-5-enoyl]amino] benzoate
CID 88661234
7-[(1S,2S,3R,4R)-3-(2-hexylsulfanylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-N-hydroxy-2,2-dimethylhept-5-enamide
CID 54531478
(Z)-7-[(1S,2S,3S,4R)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-N-(4-hydroxyphenyl)-2,2-dimethylhept-5-enamide
CID 70432090
(Z)-7-[(1R,2R,3S,4S)-3-[(phenylmethoxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 88645304
(Z)-7-[(1S,2S,3S,4R)-3-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-en-1-ol
CID 70454822
(Z)-7-[(1S,2S,3S,4R)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,2-dimethylhept-5-enoic acid
CID 10384295
benzyl N-[[(1S,2R,3R,4R)-3-(7-hydroxyhept-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]carbamate
CID 54235471
N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide
CID 18723044
tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane
CID 143391209

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide?
The IUPAC name of N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide (CID 54393506) is N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide.
What is the SMILES notation for N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide?
The canonical SMILES for N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide is CC(C)(CCC=CC[C@@H]1[C@H](CCOCc2ccccc2)[C@@H]2CC[C@H]1O2)C(=O)NO.
What is the InChIKey of N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide?
The InChIKey is VIHWMYMZICNJBC-MBDNFAEBSA-N. The full InChI is InChI=1S/C24H35NO4/c1-24(2,23(26)25-27)15-8-4-7-11-19-20(22-13-12-21(19)29-22)14-16-28-17-18-9-5-3-6-10-18/h3-7,9-10,19-22,27H,8,11-17H2,1-2H3,(H,25,26)/t19-,20+,21-,22+/m1/s1.
What are the key properties of N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide?
N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide has a molecular weight of 401.55 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,2-dimethyl-7-[(1R,2R,3S,4S)-3-(2-phenylmethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enamide is sourced from PubChem (CID 54393506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).