N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide

C18H19NO5 — CID 174676377

IUPACN,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide
SMILESCN(O)C(=O)C(=O)CC(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H19NO5/c1-19(23)18(22)17(21)11-16(20)14-7-9-15(10-8-14)24-12-13-5-3-2-4-6-13/h2-10,16,20,23H,11-12H2,1H3
InChIKeyJVPFAEKXLQYBEG-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.11
Rot. Bonds7

About N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide

N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide (PubChem CID 174676377) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide.

Molecular Properties

Compound NameN,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide
PubChem CID174676377
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide
SMILESCN(O)C(=O)C(=O)CC(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H19NO5/c1-19(23)18(22)17(21)11-16(20)14-7-9-15(10-8-14)24-12-13-5-3-2-4-6-13/h2-10,16,20,23H,11-12H2,1H3
InChIKeyJVPFAEKXLQYBEG-UHFFFAOYSA-N
XLogP2.11
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide 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

4-hydroxy-2-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 46843455
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
2-[2-(dimethylamino)-2-methylpropoxy]-1-(4-phenylmethoxyphenyl)ethanol;hydrochloride
CID 3076603
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
N-hydroxy-2-methyl-N-[1-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 14156768
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide
CID 124560470
N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide;ethane
CID 143396477

Frequently Asked Questions

What is the IUPAC name of N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide?
The IUPAC name of N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide (CID 174676377) is N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide.
What is the SMILES notation for N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide?
The canonical SMILES for N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide is CN(O)C(=O)C(=O)CC(O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide?
The InChIKey is JVPFAEKXLQYBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-19(23)18(22)17(21)11-16(20)14-7-9-15(10-8-14)24-12-13-5-3-2-4-6-13/h2-10,16,20,23H,11-12H2,1H3.
What are the key properties of N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide?
N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide has a molecular weight of 329.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide is sourced from PubChem (CID 174676377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).