N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H23NO2 — CID 103940560

IUPACN-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccccc1[C@H](C)NC(=O)COC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-11-8-6-7-9-13(11)12(2)16-14(17)10-18-15(3,4)5/h6-9,12H,10H2,1-5H3,(H,16,17)/t12-/m0/s1
InChIKeyARSDBQZBRXWAKH-LBPRGKRZSA-N
MW249.35 g/mol
LogP2.99
Rot. Bonds4

About N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103940560) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103940560
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccccc1[C@H](C)NC(=O)COC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-11-8-6-7-9-13(11)12(2)16-14(17)10-18-15(3,4)5/h6-9,12H,10H2,1-5H3,(H,16,17)/t12-/m0/s1
InChIKeyARSDBQZBRXWAKH-LBPRGKRZSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940561
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
3,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81373369
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
2-(3-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140338
2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 112778632
2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 16544805
N-(2-methyl-1-phenylpropyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605048

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103940560) is N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1ccccc1[C@H](C)NC(=O)COC(C)(C)C.
What is the InChIKey of N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is ARSDBQZBRXWAKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-6-7-9-13(11)12(2)16-14(17)10-18-15(3,4)5/h6-9,12H,10H2,1-5H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 249.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103940560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).