N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide

C20H25NO3 — CID 17329415

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-13(2)15-6-8-16(9-7-15)20(22)21-14(3)17-10-11-18(23-4)19(12-17)24-5/h6-14H,1-5H3,(H,21,22)
InChIKeyOXTXTJSMPXIVNW-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.32
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide (PubChem CID 17329415) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
PubChem CID17329415
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-13(2)15-6-8-16(9-7-15)20(22)21-14(3)17-10-11-18(23-4)19(12-17)24-5/h6-14H,1-5H3,(H,21,22)
InChIKeyOXTXTJSMPXIVNW-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzamide
CID 78852706
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
4-chloro-N-[1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55595814
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide (CID 17329415) is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide is COc1ccc(C(C)NC(=O)c2ccc(C(C)C)cc2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide?
The InChIKey is OXTXTJSMPXIVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(2)15-6-8-16(9-7-15)20(22)21-14(3)17-10-11-18(23-4)19(12-17)24-5/h6-14H,1-5H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide has a molecular weight of 327.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 17329415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).