N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide

C16H25NO2 — CID 100760780

IUPACN-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C16H25NO2/c1-11-7-8-14(9-12(11)2)19-10-13(3)17-15(18)16(4,5)6/h7-9,13H,10H2,1-6H3,(H,17,18)/t13-/m1/s1
InChIKeyCDYJTXCYKQZIIU-CYBMUJFWSA-N
MW263.38 g/mol
LogP3.23
Rot. Bonds4

About N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide

N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide (PubChem CID 100760780) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
PubChem CID100760780
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C16H25NO2/c1-11-7-8-14(9-12(11)2)19-10-13(3)17-15(18)16(4,5)6/h7-9,13H,10H2,1-6H3,(H,17,18)/t13-/m1/s1
InChIKeyCDYJTXCYKQZIIU-CYBMUJFWSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133163829
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 133262161
2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 100767509
N-[5-[1-(3,4-dimethylphenoxy)propan-2-ylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 133161502
1-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(3,4-dimethylphenyl)thiourea
CID 100752144
3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 94821099
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
CID 100692631
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
CID 133210666
N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide
CID 56920264
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide (CID 100760780) is N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide is Cc1ccc(OC[C@@H](C)NC(=O)C(C)(C)C)cc1C.
What is the InChIKey of N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is CDYJTXCYKQZIIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-8-14(9-12(11)2)19-10-13(3)17-15(18)16(4,5)6/h7-9,13H,10H2,1-6H3,(H,17,18)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide?
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 100760780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).