3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide

C17H19NO2 — CID 26009148

IUPAC3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1C
InChIInChI=1S/C17H19NO2/c1-12-9-10-15(11-16(12)20-3)17(19)18-13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyHUXVVLMLWIYHQH-ZDUSSCGKSA-N
MW269.34 g/mol
LogP3.49
Rot. Bonds4

About 3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide

3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 26009148) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
PubChem CID26009148
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1C
InChIInChI=1S/C17H19NO2/c1-12-9-10-15(11-16(12)20-3)17(19)18-13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyHUXVVLMLWIYHQH-ZDUSSCGKSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3-(4-methoxyphenyl)-4-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 20803221
3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441342
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 55699794

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide (CID 26009148) is 3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide is COc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is HUXVVLMLWIYHQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-9-10-15(11-16(12)20-3)17(19)18-13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide?
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 269.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 26009148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).