2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide

C15H23NO2 — CID 52773928

IUPAC2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
SMILESCc1ccc(OC[C@H](C)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11-6-8-13(9-7-11)18-10-12(2)16-14(17)15(3,4)5/h6-9,12H,10H2,1-5H3,(H,16,17)/t12-/m0/s1
InChIKeyGBBYDEVYWAQMFL-LBPRGKRZSA-N
MW249.35 g/mol
LogP2.92
Rot. Bonds4

About 2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide

2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide (PubChem CID 52773928) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
PubChem CID52773928
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
SMILESCc1ccc(OC[C@H](C)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11-6-8-13(9-7-11)18-10-12(2)16-14(17)15(3,4)5/h6-9,12H,10H2,1-5H3,(H,16,17)/t12-/m0/s1
InChIKeyGBBYDEVYWAQMFL-LBPRGKRZSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 79793690
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
2,2-dimethyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanoic acid
CID 79623844
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 81088183
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132650444

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide (CID 52773928) is 2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide is Cc1ccc(OC[C@H](C)NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide?
The InChIKey is GBBYDEVYWAQMFL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-6-8-13(9-7-11)18-10-12(2)16-14(17)15(3,4)5/h6-9,12H,10H2,1-5H3,(H,16,17)/t12-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide?
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 52773928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).