N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide

C18H21NO2 — CID 8573875

IUPACN-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(COC(C)C)cc2)c1
InChIInChI=1S/C18H21NO2/c1-13(2)21-12-15-7-9-16(10-8-15)18(20)19-17-6-4-5-14(3)11-17/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyVQQNFMUAQSUNOV-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.17
Rot. Bonds5

About N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide

N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide (PubChem CID 8573875) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
PubChem CID8573875
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(COC(C)C)cc2)c1
InChIInChI=1S/C18H21NO2/c1-13(2)21-12-15-7-9-16(10-8-15)18(20)19-17-6-4-5-14(3)11-17/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyVQQNFMUAQSUNOV-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-hydroxyphenyl)methyl]-N-(3-methylphenyl)benzamide
CID 167167317
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
N-(3-methylphenyl)-3-(2-methylpropyl)benzamide
CID 158758785
1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049370
4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 86938203
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 122498346
4-(methoxymethyl)-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31886869
4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide
CID 145489122
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide (CID 8573875) is N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide is Cc1cccc(NC(=O)c2ccc(COC(C)C)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is VQQNFMUAQSUNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)21-12-15-7-9-16(10-8-15)18(20)19-17-6-4-5-14(3)11-17/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide?
N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 283.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 8573875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).