N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide

C20H25NO2 — CID 133186104

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccccc2)cc1C(C)C
InChIInChI=1S/C20H25NO2/c1-13(2)17-12-18(14(3)11-19(17)23-5)15(4)21-20(22)16-9-7-6-8-10-16/h6-13,15H,1-5H3,(H,21,22)
InChIKeyWPPIOCDMOPBFRO-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.62
Rot. Bonds5

About N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 133186104) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
PubChem CID133186104
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccccc2)cc1C(C)C
InChIInChI=1S/C20H25NO2/c1-13(2)17-12-18(14(3)11-19(17)23-5)15(4)21-20(22)16-9-7-6-8-10-16/h6-13,15H,1-5H3,(H,21,22)
InChIKeyWPPIOCDMOPBFRO-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534
3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186488
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 133186522
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 133186606
4-chloro-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 133186415
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 133186501
4-[ethylsulfonyl(methyl)amino]-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 125086247
N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)ethyl]benzamide
CID 832433
4-chloro-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-nitrobenzamide
CID 133186114
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186397
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133217613
3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
CID 46485734

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide (CID 133186104) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide is COc1cc(C)c(C(C)NC(=O)c2ccccc2)cc1C(C)C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is WPPIOCDMOPBFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13(2)17-12-18(14(3)11-19(17)23-5)15(4)21-20(22)16-9-7-6-8-10-16/h6-13,15H,1-5H3,(H,21,22).
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 311.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 133186104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).