N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide

C19H23NO — CID 97423443

IUPACN-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23NO/c1-14-5-9-16(10-6-14)18(21)20-13-15-7-11-17(12-8-15)19(2,3)4/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyPFYSGWSITDNJRY-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.22
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide

N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide (PubChem CID 97423443) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
PubChem CID97423443
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23NO/c1-14-5-9-16(10-6-14)18(21)20-13-15-7-11-17(12-8-15)19(2,3)4/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyPFYSGWSITDNJRY-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442
[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
CID 854746
4-[[[2-methyl-2-(4-methylphenyl)propanoyl]amino]methyl]benzoic acid
CID 119165621
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide (CID 97423443) is N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide?
The InChIKey is PFYSGWSITDNJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-5-9-16(10-6-14)18(21)20-13-15-7-11-17(12-8-15)19(2,3)4/h5-12H,13H2,1-4H3,(H,20,21).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide?
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide has a molecular weight of 281.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 97423443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).