3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide

C18H21NO3 — CID 2557457

IUPAC3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1C
InChIInChI=1S/C18H21NO3/c1-12-16(21-3)10-15(11-17(12)22-4)18(20)19-13(2)14-8-6-5-7-9-14/h5-11,13H,1-4H3,(H,19,20)/t13-/m0/s1
InChIKeyOFGIBAUUDZJZOP-ZDUSSCGKSA-N
MW299.37 g/mol
LogP3.50
Rot. Bonds5

About 3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide

3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 2557457) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
PubChem CID2557457
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1C
InChIInChI=1S/C18H21NO3/c1-12-16(21-3)10-15(11-17(12)22-4)18(20)19-13(2)14-8-6-5-7-9-14/h5-11,13H,1-4H3,(H,19,20)/t13-/m0/s1
InChIKeyOFGIBAUUDZJZOP-ZDUSSCGKSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762358
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
N-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652
4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
CID 129054309
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
4-methoxy-3-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)benzamide
CID 133150012
3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
CID 131635924
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 166506945

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide (CID 2557457) is 3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide is COc1cc(C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1C.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is OFGIBAUUDZJZOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-16(21-3)10-15(11-17(12)22-4)18(20)19-13(2)14-8-6-5-7-9-14/h5-11,13H,1-4H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide?
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 299.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 2557457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).