N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide

C20H25NO2 — CID 132650459

IUPACN-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide
SMILESCCC(NC(=O)c1ccccc1OC(C)C)c1ccc(C)cc1
InChIInChI=1S/C20H25NO2/c1-5-18(16-12-10-15(4)11-13-16)21-20(22)17-8-6-7-9-19(17)23-14(2)3/h6-14,18H,5H2,1-4H3,(H,21,22)
InChIKeyZOMCERXFGLIZIA-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.66
Rot. Bonds6

About N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide

N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide (PubChem CID 132650459) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide
PubChem CID132650459
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide
SMILESCCC(NC(=O)c1ccccc1OC(C)C)c1ccc(C)cc1
InChIInChI=1S/C20H25NO2/c1-5-18(16-12-10-15(4)11-13-16)21-20(22)17-8-6-7-9-19(17)23-14(2)3/h6-14,18H,5H2,1-4H3,(H,21,22)
InChIKeyZOMCERXFGLIZIA-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylpropyl)-2-propan-2-yloxybenzamide
CID 43911562
N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 99132104
N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
CID 28575186
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
2,6-dimethoxy-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94011780
2-(2-methylpropoxy)-N-(1-phenylpropyl)benzamide
CID 43911530
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
CID 132650471
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide (CID 132650459) is N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide is CCC(NC(=O)c1ccccc1OC(C)C)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide?
The InChIKey is ZOMCERXFGLIZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-18(16-12-10-15(4)11-13-16)21-20(22)17-8-6-7-9-19(17)23-14(2)3/h6-14,18H,5H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide?
N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide has a molecular weight of 311.43 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 132650459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).