2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C18H21NO2 — CID 46592887

IUPAC2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)21-16-10-8-15(9-11-16)12-19-18(20)17-7-5-4-6-14(17)3/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyFGSUCSAZUJHPNU-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.71
Rot. Bonds5

About 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 46592887) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID46592887
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)21-16-10-8-15(9-11-16)12-19-18(20)17-7-5-4-6-14(17)3/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyFGSUCSAZUJHPNU-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555
N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
CID 47074877
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 92682909
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281743
2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
CID 55748966
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134057826
4-methyl-2-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-5-carboxamide
CID 20913598
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 46592887) is 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is Cc1ccccc1C(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is FGSUCSAZUJHPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)21-16-10-8-15(9-11-16)12-19-18(20)17-7-5-4-6-14(17)3/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 283.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 46592887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).