4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide

C20H25NO3 — CID 8852512

IUPAC4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-20(2,3)16-9-7-15(8-10-16)19(22)21-13-14-6-11-17(23-4)18(12-14)24-5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyUYVDEBGWWFRCBN-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.93
Rot. Bonds5

About 4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide

4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 8852512) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
PubChem CID8852512
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-20(2,3)16-9-7-15(8-10-16)19(22)21-13-14-6-11-17(23-4)18(12-14)24-5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyUYVDEBGWWFRCBN-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048248
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
1-[1-(4-tert-butylphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 60541277
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide (CID 8852512) is 4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC.
What is the InChIKey of 4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is UYVDEBGWWFRCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,3)16-9-7-15(8-10-16)19(22)21-13-14-6-11-17(23-4)18(12-14)24-5/h6-12H,13H2,1-5H3,(H,21,22).
What are the key properties of 4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 8852512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).