4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide

C19H23NO2 — CID 795553

IUPAC4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)16-11-9-14(10-12-16)18(21)20-13-15-7-5-6-8-17(15)22-4/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyYGMJLMBZCAVOSS-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.92
Rot. Bonds4

About 4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide

4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 795553) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID795553
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)16-11-9-14(10-12-16)18(21)20-13-15-7-5-6-8-17(15)22-4/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyYGMJLMBZCAVOSS-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
4-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 94805308
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109046451
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 109047395
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 55305855
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 60541279

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide (CID 795553) is 4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is YGMJLMBZCAVOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,3)16-11-9-14(10-12-16)18(21)20-13-15-7-5-6-8-17(15)22-4/h5-12H,13H2,1-4H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide?
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 795553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).