N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide

C12H17NO3 — CID 65032139

IUPACN-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide
SMILESCC(CO)CNC(=O)COc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(8-14)7-13-12(15)9-16-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyNRVCZJXNSPQSEI-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.81
Rot. Bonds6

About N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide

N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide (PubChem CID 65032139) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide
PubChem CID65032139
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide
SMILESCC(CO)CNC(=O)COc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(8-14)7-13-12(15)9-16-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyNRVCZJXNSPQSEI-UHFFFAOYSA-N
XLogP0.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide
CID 114316800
N-(2-ethylbutyl)-2-phenoxyacetamide
CID 115612512
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
CID 63294026
methyl 2-bromo-3-[(2-phenoxyacetyl)amino]propanoate
CID 103492482
N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide
CID 46433016
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide
CID 65037096
N-(2-amino-4,4-dimethylpentyl)-2-phenoxyacetamide
CID 107158440
3-[[2-(4-iodophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119237353

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide (CID 65032139) is N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide is CC(CO)CNC(=O)COc1ccccc1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide?
The InChIKey is NRVCZJXNSPQSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10(8-14)7-13-12(15)9-16-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide?
N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide has a molecular weight of 223.27 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide is sourced from PubChem (CID 65032139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).