N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C23H31NO2 — CID 133202200

IUPACN-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NC(C)(C)Cc2ccccc2)c1
InChIInChI=1S/C23H31NO2/c1-16(2)20-13-12-17(3)14-21(20)26-18(4)22(25)24-23(5,6)15-19-10-8-7-9-11-19/h7-14,16,18H,15H2,1-6H3,(H,24,25)
InChIKeyGOYXBGJRKLSWPB-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.02
Rot. Bonds7

About N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 133202200) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID133202200
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC NameN-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NC(C)(C)Cc2ccccc2)c1
InChIInChI=1S/C23H31NO2/c1-16(2)20-13-12-17(3)14-21(20)26-18(4)22(25)24-23(5,6)15-19-10-8-7-9-11-19/h7-14,16,18H,15H2,1-6H3,(H,24,25)
InChIKeyGOYXBGJRKLSWPB-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100585169
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)propanamide
CID 133162179
N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133162903
(2R)-2-(4-bromophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100728263
N-[(2-ethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201955
2-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]methyl]phenoxy]acetic acid
CID 119246396
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201946

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 133202200) is N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)NC(C)(C)Cc2ccccc2)c1.
What is the InChIKey of N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is GOYXBGJRKLSWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-16(2)20-13-12-17(3)14-21(20)26-18(4)22(25)24-23(5,6)15-19-10-8-7-9-11-19/h7-14,16,18H,15H2,1-6H3,(H,24,25).
What are the key properties of N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 353.51 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 133202200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).