N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane

C22H31NO3 — CID 144791814

IUPACN,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane
SMILESCC.CC(C)(O)C(C)(CCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C20H25NO3.C2H6/c1-19(2,23)20(3,18(22)21-24)14-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16;1-2/h4-12,23-24H,13-14H2,1-3H3,(H,21,22);1-2H3
InChIKeyKAOZSSRMHFXGBP-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.59
Rot. Bonds6

About N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane

N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane (PubChem CID 144791814) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane.

Molecular Properties

Compound NameN,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane
PubChem CID144791814
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC NameN,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane
SMILESCC.CC(C)(O)C(C)(CCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C20H25NO3.C2H6/c1-19(2,23)20(3,18(22)21-24)14-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16;1-2/h4-12,23-24H,13-14H2,1-3H3,(H,21,22);1-2H3
InChIKeyKAOZSSRMHFXGBP-UHFFFAOYSA-N
XLogP4.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dihydroxy-2-methyl-4-phenylbutanamide
CID 18686340
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide
CID 123709297
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid
CID 170564907
ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
CID 144791729
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
ethane;4-phenylbenzoic acid;propane
CID 156791718
4-[4-(2,3-dichlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684268
3,3-dimethyl-5-phenylpentanoic acid;ethane;propane
CID 142907500
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422

Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane?
The IUPAC name of N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane (CID 144791814) is N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane.
What is the SMILES notation for N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane?
The canonical SMILES for N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane is CC.CC(C)(O)C(C)(CCc1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane?
The InChIKey is KAOZSSRMHFXGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3.C2H6/c1-19(2,23)20(3,18(22)21-24)14-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16;1-2/h4-12,23-24H,13-14H2,1-3H3,(H,21,22);1-2H3.
What are the key properties of N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane?
N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane has a molecular weight of 357.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane is sourced from PubChem (CID 144791814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).