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

C21H27NO2 — CID 28636194

IUPAC(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C
InChIInChI=1S/C21H27NO2/c1-14(2)17-10-6-8-12-19(17)22-21(23)16(5)24-20-13-9-7-11-18(20)15(3)4/h6-16H,1-5H3,(H,22,23)/t16-/m0/s1
InChIKeyLTMBCPGTWAPBHO-INIZCTEOSA-N
MW325.45 g/mol
LogP5.34
Rot. Bonds6

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

(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 28636194) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID28636194
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C
InChIInChI=1S/C21H27NO2/c1-14(2)17-10-6-8-12-19(17)22-21(23)16(5)24-20-13-9-7-11-18(20)15(3)4/h6-16H,1-5H3,(H,22,23)/t16-/m0/s1
InChIKeyLTMBCPGTWAPBHO-INIZCTEOSA-N
XLogP5.34
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 ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 46769245
ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 93487291
ethyl 2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 93487292
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide
CID 43875587
(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 93488024
(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43905902
N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43907362
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
(2R)-N-carbamoyl-2-(2-propan-2-ylphenoxy)propanamide
CID 95358323

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide (CID 28636194) is (2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C.
What is the InChIKey of (2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is LTMBCPGTWAPBHO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO2/c1-14(2)17-10-6-8-12-19(17)22-21(23)16(5)24-20-13-9-7-11-18(20)15(3)4/h6-16H,1-5H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide?
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 325.45 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 28636194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).