N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide

C19H23NO2 — CID 84966349

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H23NO2/c1-12-6-9-18(22-5)17(10-12)15(4)20-19(21)16-8-7-13(2)14(3)11-16/h6-11,15H,1-5H3,(H,20,21)
InChIKeySNMSPIDKWWPMGV-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.11
Rot. Bonds4

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide (PubChem CID 84966349) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
PubChem CID84966349
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H23NO2/c1-12-6-9-18(22-5)17(10-12)15(4)20-19(21)16-8-7-13(2)14(3)11-16/h6-11,15H,1-5H3,(H,20,21)
InChIKeySNMSPIDKWWPMGV-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9262557
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78948546
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
CID 9264228
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide (CID 84966349) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide is COc1ccc(C)cc1C(C)NC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide?
The InChIKey is SNMSPIDKWWPMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12-6-9-18(22-5)17(10-12)15(4)20-19(21)16-8-7-13(2)14(3)11-16/h6-11,15H,1-5H3,(H,20,21).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 84966349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).