N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide

C17H27NO3 — CID 111499105

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide
SMILESCC(CCOc1ccccc1)C(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C17H27NO3/c1-13(2)17(4,20)12-18-16(19)14(3)10-11-21-15-8-6-5-7-9-15/h5-9,13-14,20H,10-12H2,1-4H3,(H,18,19)
InChIKeyNZPZSMROURXQPG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.61
Rot. Bonds8

About N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide (PubChem CID 111499105) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide
PubChem CID111499105
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide
SMILESCC(CCOc1ccccc1)C(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C17H27NO3/c1-13(2)17(4,20)12-18-16(19)14(3)10-11-21-15-8-6-5-7-9-15/h5-9,13-14,20H,10-12H2,1-4H3,(H,18,19)
InChIKeyNZPZSMROURXQPG-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-2-(2-phenoxyacetamido)butanoic acid
CID 2942249
(2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
CID 749024
(R)-2-Cyano-3,3-dimethyl-N-((R)-1-methyl-2-phenoxy-ethyl)-butyramide
CID 44288153
(R)-2-Cyano-N-[(R)-2-(2-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
CID 44288298
2-Cyano-N-[(R)-2-(4-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
CID 44288299
2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3-methyl-butyramide
CID 44288326
2-Cyano-3,3-dimethyl-N-(1-methyl-2-phenoxy-ethyl)-butyramide
CID 44288516
2-Cyano-N-[2-(2-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
CID 44288643
(R)-2-Cyano-N-[2-(3-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
CID 44288644
(R)-2-Cyano-N-[(R)-2-(3-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
CID 44288667
(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methyl-18-phenoxyoctadeca-5,8,11,14-tetraenamide
CID 145978222
N-(3-phenoxypropyl)propanamide
CID 1581116

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide (CID 111499105) is N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide is CC(CCOc1ccccc1)C(=O)NCC(C)(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide?
The InChIKey is NZPZSMROURXQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)17(4,20)12-18-16(19)14(3)10-11-21-15-8-6-5-7-9-15/h5-9,13-14,20H,10-12H2,1-4H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide has a molecular weight of 293.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide is sourced from PubChem (CID 111499105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).