N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide

C16H25NO3 — CID 111698199

IUPACN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide
SMILESCC(CCOc1ccccc1)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C16H25NO3/c1-13(15(18)17(4)12-16(2,3)19)10-11-20-14-8-6-5-7-9-14/h5-9,13,19H,10-12H2,1-4H3
InChIKeyNFLGZJBHZJONNV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.32
Rot. Bonds7

About N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide

N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide (PubChem CID 111698199) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide
PubChem CID111698199
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide
SMILESCC(CCOc1ccccc1)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C16H25NO3/c1-13(15(18)17(4)12-16(2,3)19)10-11-20-14-8-6-5-7-9-14/h5-9,13,19H,10-12H2,1-4H3
InChIKeyNFLGZJBHZJONNV-UHFFFAOYSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
CID 111697912
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 111663070
N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide
CID 111499105
propan-2-yl 2-methyl-4-phenoxybutanoate
CID 174931468
2,2-dimethyl-3-[(2-methyl-4-phenoxybutanoyl)amino]propanoic acid
CID 119250425
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 78864188
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 111543293
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984
3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381735
1,5-diphenoxypentan-3-ol
CID 5314309

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide (CID 111698199) is N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide is CC(CCOc1ccccc1)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide?
The InChIKey is NFLGZJBHZJONNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(15(18)17(4)12-16(2,3)19)10-11-20-14-8-6-5-7-9-14/h5-9,13,19H,10-12H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide?
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide has a molecular weight of 279.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide is sourced from PubChem (CID 111698199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).