N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide

C20H25NO2 — CID 132650471

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2OC(C)C)cc1C
InChIInChI=1S/C20H25NO2/c1-13(2)23-19-9-7-6-8-18(19)20(22)21-16(5)17-11-10-14(3)15(4)12-17/h6-13,16H,1-5H3,(H,21,22)
InChIKeyKCJVDLQYVWGGPK-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.58
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide (PubChem CID 132650471) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
PubChem CID132650471
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2OC(C)C)cc1C
InChIInChI=1S/C20H25NO2/c1-13(2)23-19-9-7-6-8-18(19)20(22)21-16(5)17-11-10-14(3)15(4)12-17/h6-13,16H,1-5H3,(H,21,22)
InChIKeyKCJVDLQYVWGGPK-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
(2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 94843420
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 17326587
2-[2-[1-(3,4-dimethylphenyl)ethylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119180729
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
CID 17169456
N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide
CID 132650459
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17326610
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 40635729

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide (CID 132650471) is N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide is Cc1ccc(C(C)NC(=O)c2ccccc2OC(C)C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide?
The InChIKey is KCJVDLQYVWGGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13(2)23-19-9-7-6-8-18(19)20(22)21-16(5)17-11-10-14(3)15(4)12-17/h6-13,16H,1-5H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide has a molecular weight of 311.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 132650471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).