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

C28H33NO2 — CID 133186606

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccccc2CCc2ccccc2)cc1C(C)C
InChIInChI=1S/C28H33NO2/c1-19(2)25-18-26(20(3)17-27(25)31-5)21(4)29-28(30)24-14-10-9-13-23(24)16-15-22-11-7-6-8-12-22/h6-14,17-19,21H,15-16H2,1-5H3,(H,29,30)
InChIKeyBEYFUMMWPIYYQZ-UHFFFAOYSA-N
MW415.58 g/mol
LogP6.40
Rot. Bonds8

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

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide (PubChem CID 133186606) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide
PubChem CID133186606
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccccc2CCc2ccccc2)cc1C(C)C
InChIInChI=1S/C28H33NO2/c1-19(2)25-18-26(20(3)17-27(25)31-5)21(4)29-28(30)24-14-10-9-13-23(24)16-15-22-11-7-6-8-12-22/h6-14,17-19,21H,15-16H2,1-5H3,(H,29,30)
InChIKeyBEYFUMMWPIYYQZ-UHFFFAOYSA-N
XLogP6.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
N-[1-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 46763830
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 94019464
N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78878408
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133217309
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 1249675
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide
CID 51956574
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 133217488
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133186266
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 133186501
3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186488

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide (CID 133186606) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide is COc1cc(C)c(C(C)NC(=O)c2ccccc2CCc2ccccc2)cc1C(C)C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide?
The InChIKey is BEYFUMMWPIYYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-19(2)25-18-26(20(3)17-27(25)31-5)21(4)29-28(30)24-14-10-9-13-23(24)16-15-22-11-7-6-8-12-22/h6-14,17-19,21H,15-16H2,1-5H3,(H,29,30).
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide has a molecular weight of 415.58 g/mol, XLogP of 6.40, 8 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]-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 133186606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).