3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide

C20H25NO3 — CID 17328593

IUPAC3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-13(2)15-6-8-16(9-7-15)14(3)21-20(22)17-10-11-18(23-4)19(12-17)24-5/h6-14H,1-5H3,(H,21,22)
InChIKeySCQAQMQUXAYKFQ-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.32
Rot. Bonds6

About 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide

3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 17328593) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
PubChem CID17328593
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-13(2)15-6-8-16(9-7-15)14(3)21-20(22)17-10-11-18(23-4)19(12-17)24-5/h6-14H,1-5H3,(H,21,22)
InChIKeySCQAQMQUXAYKFQ-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

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzamide
CID 78852706
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide (CID 17328593) is 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide is COc1ccc(C(=O)NC(C)c2ccc(C(C)C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is SCQAQMQUXAYKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(2)15-6-8-16(9-7-15)14(3)21-20(22)17-10-11-18(23-4)19(12-17)24-5/h6-14H,1-5H3,(H,21,22).
What are the key properties of 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide 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 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 17328593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).