N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide

C20H25NO2 — CID 90598713

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC(OC)c2ccccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-4-7-16-10-12-17(13-11-16)20(22)21-14-19(23-3)18-9-6-5-8-15(18)2/h5-6,8-13,19H,4,7,14H2,1-3H3,(H,21,22)
InChIKeyOBASRZFCKXCNOF-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.07
Rot. Bonds7

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide (PubChem CID 90598713) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide
PubChem CID90598713
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC(OC)c2ccccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-4-7-16-10-12-17(13-11-16)20(22)21-14-19(23-3)18-9-6-5-8-15(18)2/h5-6,8-13,19H,4,7,14H2,1-3H3,(H,21,22)
InChIKeyOBASRZFCKXCNOF-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 97417642
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
2-(4-ethoxyphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide
CID 90598744
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 97417689
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 90598675
2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598769
2,3,4-trimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598793
1-(2-methoxy-2-phenylethyl)-3-(4-propylphenyl)urea
CID 112824956
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 90598746

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide (CID 90598713) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide is CCCc1ccc(C(=O)NCC(OC)c2ccccc2C)cc1.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide?
The InChIKey is OBASRZFCKXCNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-7-16-10-12-17(13-11-16)20(22)21-14-19(23-3)18-9-6-5-8-15(18)2/h5-6,8-13,19H,4,7,14H2,1-3H3,(H,21,22).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-propylbenzamide is sourced from PubChem (CID 90598713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).