N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide

C17H27NO3 — CID 109379794

IUPACN-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
SMILESCC(O)CCN(C)C(=O)C(OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-13(19)11-12-18(5)16(20)15(21-17(2,3)4)14-9-7-6-8-10-14/h6-10,13,15,19H,11-12H2,1-5H3
InChIKeyDXRIEFPXMVGFNJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.77
Rot. Bonds6

About N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide

N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide (PubChem CID 109379794) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
PubChem CID109379794
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
SMILESCC(O)CCN(C)C(=O)C(OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-13(19)11-12-18(5)16(20)15(21-17(2,3)4)14-9-7-6-8-10-14/h6-10,13,15,19H,11-12H2,1-5H3
InChIKeyDXRIEFPXMVGFNJ-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 97241364
2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695569
(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
CID 104869216
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
N-(2-hydroxypropyl)-N,3-dimethyl-2-phenylpentanamide
CID 62335322
N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 109380007
4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid
CID 119172841
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562
N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide
CID 115691637

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide (CID 109379794) is N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide is CC(O)CCN(C)C(=O)C(OC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The InChIKey is DXRIEFPXMVGFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(19)11-12-18(5)16(20)15(21-17(2,3)4)14-9-7-6-8-10-14/h6-10,13,15,19H,11-12H2,1-5H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide has a molecular weight of 293.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide is sourced from PubChem (CID 109379794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).