N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide

C17H17NO3 — CID 27349912

IUPACN-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](O)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-11-3-7-13(8-4-11)15(19)17(21)18-16(20)14-9-5-12(2)6-10-14/h3-10,17,21H,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyRZCANCROVWMHRR-KRWDZBQOSA-N
MW283.33 g/mol
LogP2.23
Rot. Bonds4

About N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide

N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide (PubChem CID 27349912) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
PubChem CID27349912
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](O)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-11-3-7-13(8-4-11)15(19)17(21)18-16(20)14-9-5-12(2)6-10-14/h3-10,17,21H,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyRZCANCROVWMHRR-KRWDZBQOSA-N
XLogP2.23
TPSA66.40 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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
CID 34256707
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985
N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 35180599
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 40598411
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971
N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide
CID 23583750
4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 34256272
N-(1-aminoethyl)-4-methylbenzamide;hydrochloride
CID 18770702
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
N-(4-bromobutan-2-yl)-4-methylbenzamide
CID 83180516
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide (CID 27349912) is N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H](O)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is RZCANCROVWMHRR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-3-7-13(8-4-11)15(19)17(21)18-16(20)14-9-5-12(2)6-10-14/h3-10,17,21H,1-2H3,(H,18,20)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide?
N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 27349912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).