N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide

C18H21NO — CID 2671711

IUPACN-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
SMILESCc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H21NO/c1-13(2)16-8-10-17(11-9-16)18(20)19-12-15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyFJNLYPSLTZPMDT-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.05
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide

N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide (PubChem CID 2671711) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
PubChem CID2671711
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
SMILESCc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H21NO/c1-13(2)16-8-10-17(11-9-16)18(20)19-12-15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyFJNLYPSLTZPMDT-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838
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
4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127
N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 25239328
4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 63525830

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide (CID 2671711) is N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide is Cc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide?
The InChIKey is FJNLYPSLTZPMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)16-8-10-17(11-9-16)18(20)19-12-15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide?
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide has a molecular weight of 267.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 2671711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).