N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide

C20H25NO2 — CID 31236411

IUPACN-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c(O)c1
InChIInChI=1S/C20H25NO2/c1-14-6-11-17(18(22)12-14)19(23)21(5)13-15-7-9-16(10-8-15)20(2,3)4/h6-12,22H,13H2,1-5H3
InChIKeyIKRBQXSRRMRKPU-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.27
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide

N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide (PubChem CID 31236411) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide
PubChem CID31236411
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c(O)c1
InChIInChI=1S/C20H25NO2/c1-14-6-11-17(18(22)12-14)19(23)21(5)13-15-7-9-16(10-8-15)20(2,3)4/h6-12,22H,13H2,1-5H3
InChIKeyIKRBQXSRRMRKPU-UHFFFAOYSA-N
XLogP4.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430
N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546841
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
4-[(2-hydroxy-4-methylbenzoyl)-methylamino]butanoic acid
CID 43151825
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-N,4-dimethylbenzamide
CID 114242808
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
5-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 63865818

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide (CID 31236411) is N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c(O)c1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide?
The InChIKey is IKRBQXSRRMRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-6-11-17(18(22)12-14)19(23)21(5)13-15-7-9-16(10-8-15)20(2,3)4/h6-12,22H,13H2,1-5H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide?
N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide is sourced from PubChem (CID 31236411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).