N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide

C19H23NO4 — CID 43874097

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C19H23NO4/c1-12-10-15(7-8-16(12)22-3)19(21)20-13(2)14-6-9-17(23-4)18(11-14)24-5/h6-11,13H,1-5H3,(H,20,21)
InChIKeyPFSBGGIDWJLIQF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide (PubChem CID 43874097) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
PubChem CID43874097
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C19H23NO4/c1-12-10-15(7-8-16(12)22-3)19(21)20-13(2)14-6-9-17(23-4)18(11-14)24-5/h6-11,13H,1-5H3,(H,20,21)
InChIKeyPFSBGGIDWJLIQF-UHFFFAOYSA-N
XLogP3.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 94048963
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzamide
CID 78852706
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
CID 133187560
4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
CID 46764267

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide (CID 43874097) is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide is COc1ccc(C(=O)NC(C)c2ccc(OC)c(OC)c2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide?
The InChIKey is PFSBGGIDWJLIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-12-10-15(7-8-16(12)22-3)19(21)20-13(2)14-6-9-17(23-4)18(11-14)24-5/h6-11,13H,1-5H3,(H,20,21).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide is sourced from PubChem (CID 43874097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).