4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide

C19H23NO3 — CID 82186131

IUPAC4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-19(2,3)15-8-5-13(6-9-15)12-23-16-10-7-14(18(20)21)11-17(16)22-4/h5-11H,12H2,1-4H3,(H2,20,21)
InChIKeyKNRQEVJZVFHTJJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.67
Rot. Bonds5

About 4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide

4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide (PubChem CID 82186131) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide
PubChem CID82186131
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-19(2,3)15-8-5-13(6-9-15)12-23-16-10-7-14(18(20)21)11-17(16)22-4/h5-11H,12H2,1-4H3,(H2,20,21)
InChIKeyKNRQEVJZVFHTJJ-UHFFFAOYSA-N
XLogP3.67
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-phenylmethoxybenzamide
CID 22467475
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide
CID 158812544
4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
(E)-4-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]but-3-en-2-one
CID 155807605
3-(4-tert-butylphenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 91755690
3-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 82186044
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
CID 104637822
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide?
The IUPAC name of 4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide (CID 82186131) is 4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide?
The canonical SMILES for 4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide is COc1cc(C(N)=O)ccc1OCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide?
The InChIKey is KNRQEVJZVFHTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(2,3)15-8-5-13(6-9-15)12-23-16-10-7-14(18(20)21)11-17(16)22-4/h5-11H,12H2,1-4H3,(H2,20,21).
What are the key properties of 4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide?
4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 82186131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).