N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide

C15H23NO2 — CID 58756722

IUPACN-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide
SMILESCC(C)(C)CCNC(=O)COCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)9-10-16-14(17)12-18-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,16,17)
InChIKeyYRLIOMRCRQOFTH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.76
Rot. Bonds6

About N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide

N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide (PubChem CID 58756722) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide
PubChem CID58756722
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide
SMILESCC(C)(C)CCNC(=O)COCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)9-10-16-14(17)12-18-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,16,17)
InChIKeyYRLIOMRCRQOFTH-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
N-butyl-2-phenylmethoxyacetamide
CID 126717674
2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 66174585
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
5,5-dimethyl-1-phenylmethoxyhexan-2-one
CID 131052640
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 107834653
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951
5,5-dimethylhexyl 2-phenylmethoxyacetate
CID 138647452
2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 106107823
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896
2-[(4-aminophenyl)methoxy]-N-benzylacetamide
CID 28973831

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide (CID 58756722) is N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide is CC(C)(C)CCNC(=O)COCc1ccccc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide?
The InChIKey is YRLIOMRCRQOFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)9-10-16-14(17)12-18-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,16,17).
What are the key properties of N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide?
N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide has a molecular weight of 249.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 58756722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).