N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide

C17H17NO3 — CID 118548317

IUPACN-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cc(O)cc([C@H](O)c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-3-16(20)18(2)14-9-13(10-15(19)11-14)17(21)12-7-5-4-6-8-12/h3-11,17,19,21H,1H2,2H3/t17-/m1/s1
InChIKeyISTAOAGDLRWZMS-QGZVFWFLSA-N
MW283.33 g/mol
LogP2.62
Rot. Bonds4

About N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide

N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide (PubChem CID 118548317) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide
PubChem CID118548317
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cc(O)cc([C@H](O)c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-3-16(20)18(2)14-9-13(10-15(19)11-14)17(21)12-7-5-4-6-8-12/h3-11,17,19,21H,1H2,2H3/t17-/m1/s1
InChIKeyISTAOAGDLRWZMS-QGZVFWFLSA-N
XLogP2.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-chlorophenyl)-hydroxymethyl]-5-hydroxyphenyl]-N-methylprop-2-enamide
CID 118542279
N-[3-anilino-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide
CID 144970793
N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide
CID 118548286
N-methyl-N-(3-propan-2-ylphenyl)prop-2-enamide
CID 163441279
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide
CID 67100741
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
CID 70599028
2-chloro-N-(4-hydroxyphenyl)-N-methyl-2-phenylacetamide
CID 82110850
N-methyl-N-phenylbuta-2,3-dienamide
CID 12773177
N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide
CID 139541646
(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
CID 107735974

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide?
The IUPAC name of N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide (CID 118548317) is N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide is C=CC(=O)N(C)c1cc(O)cc([C@H](O)c2ccccc2)c1.
What is the InChIKey of N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide?
The InChIKey is ISTAOAGDLRWZMS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-16(20)18(2)14-9-13(10-15(19)11-14)17(21)12-7-5-4-6-8-12/h3-11,17,19,21H,1H2,2H3/t17-/m1/s1.
What are the key properties of N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide?
N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 118548317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).