3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide

C20H23NO3 — CID 158812544

IUPAC3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)15-8-5-13(6-9-15)11-17(22)16-12-14(19(21)23)7-10-18(16)24-4/h5-10,12H,11H2,1-4H3,(H2,21,23)
InChIKeyIUWDXVDNUGMHII-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.52
Rot. Bonds5

About 3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide

3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide (PubChem CID 158812544) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide
PubChem CID158812544
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)15-8-5-13(6-9-15)11-17(22)16-12-14(19(21)23)7-10-18(16)24-4/h5-10,12H,11H2,1-4H3,(H2,21,23)
InChIKeyIUWDXVDNUGMHII-UHFFFAOYSA-N
XLogP3.52
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide
CID 82186131
3-(4-tert-butylphenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 91755690
3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide
CID 160839258
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114967861
4-chloro-3-[2-(4-chlorophenyl)acetyl]benzamide
CID 157465284
4-(4-tert-butylphenyl)-1-(5-chloro-2-methoxyphenyl)butan-1-one
CID 160827198
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
[4-[4-[2-(4-tert-butylphenyl)acetyl]phenyl]phenyl] sulfamate
CID 10273860
(4-tert-butylphenyl)methyl 4-carbamoylbenzoate
CID 30799344

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide?
The IUPAC name of 3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide (CID 158812544) is 3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide?
The canonical SMILES for 3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1C(=O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide?
The InChIKey is IUWDXVDNUGMHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)15-8-5-13(6-9-15)11-17(22)16-12-14(19(21)23)7-10-18(16)24-4/h5-10,12H,11H2,1-4H3,(H2,21,23).
What are the key properties of 3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide?
3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide is sourced from PubChem (CID 158812544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).