N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide

C22H29NO2 — CID 959855

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29NO2/c1-6-16(2)19-9-7-8-10-20(19)23-21(24)15-25-18-13-11-17(12-14-18)22(3,4)5/h7-14,16H,6,15H2,1-5H3,(H,23,24)/t16-/m0/s1
InChIKeyNCRKPDMZJKWEKR-INIZCTEOSA-N
MW339.48 g/mol
LogP5.52
Rot. Bonds6

About N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide (PubChem CID 959855) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
PubChem CID959855
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29NO2/c1-6-16(2)19-9-7-8-10-20(19)23-21(24)15-25-18-13-11-17(12-14-18)22(3,4)5/h7-14,16H,6,15H2,1-5H3,(H,23,24)/t16-/m0/s1
InChIKeyNCRKPDMZJKWEKR-INIZCTEOSA-N
XLogP5.52
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 ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2365150
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2365149
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328142
N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 890267
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556213
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853854
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide (CID 959855) is N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide is CC[C@H](C)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is NCRKPDMZJKWEKR-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29NO2/c1-6-16(2)19-9-7-8-10-20(19)23-21(24)15-25-18-13-11-17(12-14-18)22(3,4)5/h7-14,16H,6,15H2,1-5H3,(H,23,24)/t16-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 339.48 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 959855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).