N-[(3-tert-butylphenyl)methyl]benzamide

C18H21NO — CID 58788636

IUPACN-[(3-tert-butylphenyl)methyl]benzamide
SMILESCC(C)(C)c1cccc(CNC(=O)c2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-18(2,3)16-11-7-8-14(12-16)13-19-17(20)15-9-5-4-6-10-15/h4-12H,13H2,1-3H3,(H,19,20)
InChIKeyPXGCXYUEHLBSFO-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.91
Rot. Bonds3

About N-[(3-tert-butylphenyl)methyl]benzamide

N-[(3-tert-butylphenyl)methyl]benzamide (PubChem CID 58788636) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(3-tert-butylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-tert-butylphenyl)methyl]benzamide
PubChem CID58788636
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(3-tert-butylphenyl)methyl]benzamide
SMILESCC(C)(C)c1cccc(CNC(=O)c2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-18(2,3)16-11-7-8-14(12-16)13-19-17(20)15-9-5-4-6-10-15/h4-12H,13H2,1-3H3,(H,19,20)
InChIKeyPXGCXYUEHLBSFO-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
N-benzyl-3,5-ditert-butylbenzamide
CID 11267280
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate
CID 25062030
3-[[(4-aminobenzoyl)amino]methyl]benzoic acid
CID 61162089
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
4-(benzamidomethyl)benzoic acid
CID 10879683
3-[[(3,4-dihydroxybenzoyl)amino]methyl]benzoic acid
CID 107728027

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butylphenyl)methyl]benzamide?
The IUPAC name of N-[(3-tert-butylphenyl)methyl]benzamide (CID 58788636) is N-[(3-tert-butylphenyl)methyl]benzamide.
What is the SMILES notation for N-[(3-tert-butylphenyl)methyl]benzamide?
The canonical SMILES for N-[(3-tert-butylphenyl)methyl]benzamide is CC(C)(C)c1cccc(CNC(=O)c2ccccc2)c1.
What is the InChIKey of N-[(3-tert-butylphenyl)methyl]benzamide?
The InChIKey is PXGCXYUEHLBSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2,3)16-11-7-8-14(12-16)13-19-17(20)15-9-5-4-6-10-15/h4-12H,13H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-tert-butylphenyl)methyl]benzamide?
N-[(3-tert-butylphenyl)methyl]benzamide has a molecular weight of 267.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butylphenyl)methyl]benzamide is sourced from PubChem (CID 58788636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).