N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide

C16H17NO4 — CID 72707666

IUPACN,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CC(O)c1ccc(OCc2ccccc2)cc1)NO
InChIInChI=1S/C16H17NO4/c18-15(10-16(19)17-20)13-6-8-14(9-7-13)21-11-12-4-2-1-3-5-12/h1-9,15,18,20H,10-11H2,(H,17,19)
InChIKeyVDLJOYYXZLZHFP-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.19
Rot. Bonds6

About N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide

N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide (PubChem CID 72707666) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide
PubChem CID72707666
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CC(O)c1ccc(OCc2ccccc2)cc1)NO
InChIInChI=1S/C16H17NO4/c18-15(10-16(19)17-20)13-6-8-14(9-7-13)21-11-12-4-2-1-3-5-12/h1-9,15,18,20H,10-11H2,(H,17,19)
InChIKeyVDLJOYYXZLZHFP-UHFFFAOYSA-N
XLogP2.19
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hydroxy-7-(4-phenylphenoxy)heptanamide
CID 22915465
2-(4-Benzyloxy-phenyl)-N-hydroxy-acetamide
CID 14545018
N-hydroxy-2-(hydroxymethyl)-2-methyl-3-(4-phenylphenoxy)propanamide
CID 70681060
3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide
CID 122185433
N-hydroxy-8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanamide
CID 162642980
N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide
CID 162662637
N-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyhexanamide
CID 162666119
N-hydroxy-7-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyheptanamide
CID 162667783
N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide
CID 162671670
N-hydroxy-7-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyheptanamide
CID 162675369
7-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-N-hydroxyheptanamide
CID 168271617
N-hydroxy-2-(4-phenoxyphenyl)acetamide
CID 53315818

Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide (CID 72707666) is N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide is O=C(CC(O)c1ccc(OCc2ccccc2)cc1)NO.
What is the InChIKey of N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is VDLJOYYXZLZHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-15(10-16(19)17-20)13-6-8-14(9-7-13)21-11-12-4-2-1-3-5-12/h1-9,15,18,20H,10-11H2,(H,17,19).
What are the key properties of N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide?
N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 287.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 72707666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).