(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide

C22H29NO2 — CID 38017144

IUPAC(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccccc1C(C)C
InChIInChI=1S/C22H29NO2/c1-14(2)18-11-7-8-13-20(18)25-17(6)22(24)23-21-16(5)10-9-12-19(21)15(3)4/h7-15,17H,1-6H3,(H,23,24)/t17-/m0/s1
InChIKeyXGHLODSJIXMGKI-KRWDZBQOSA-N
MW339.48 g/mol
LogP5.65
Rot. Bonds6

About (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide

(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 38017144) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID38017144
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccccc1C(C)C
InChIInChI=1S/C22H29NO2/c1-14(2)18-11-7-8-13-20(18)25-17(6)22(24)23-21-16(5)10-9-12-19(21)15(3)4/h7-15,17H,1-6H3,(H,23,24)/t17-/m0/s1
InChIKeyXGHLODSJIXMGKI-KRWDZBQOSA-N
XLogP5.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 92674551
2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 53266192
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 40872944
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide
CID 51191193
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154
(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide
CID 7816896
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8569313
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-propan-2-ylphenoxy)propanamide
CID 94019271

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide (CID 38017144) is (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide is Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccccc1C(C)C.
What is the InChIKey of (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is XGHLODSJIXMGKI-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29NO2/c1-14(2)18-11-7-8-13-20(18)25-17(6)22(24)23-21-16(5)10-9-12-19(21)15(3)4/h7-15,17H,1-6H3,(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 339.48 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 38017144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).