N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide

C21H27NO2 — CID 4793295

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H27NO2/c1-14(2)17-10-8-11-18(15(3)4)21(17)22-20(23)13-16-9-6-7-12-19(16)24-5/h6-12,14-15H,13H2,1-5H3,(H,22,23)
InChIKeySYDIPJGJKQFXHM-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.12
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 4793295) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
PubChem CID4793295
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H27NO2/c1-14(2)17-10-8-11-18(15(3)4)21(17)22-20(23)13-16-9-6-7-12-19(16)24-5/h6-12,14-15H,13H2,1-5H3,(H,22,23)
InChIKeySYDIPJGJKQFXHM-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587
2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998486
N-(2-butan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3725070
N-(3-hydroxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 43082666
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
N'-[2-(2-methoxyphenyl)acetyl]-3-methylbutanehydrazide
CID 46653047
N-benzhydryl-N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methoxybenzamide
CID 19874995
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955809
2-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
CID 112997388
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112997414

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide (CID 4793295) is N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is SYDIPJGJKQFXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-14(2)17-10-8-11-18(15(3)4)21(17)22-20(23)13-16-9-6-7-12-19(16)24-5/h6-12,14-15H,13H2,1-5H3,(H,22,23).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 325.45 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 4793295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).