N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H21NO2 — CID 112604971

IUPACN-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccccc1CNC(=O)COC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11-7-5-6-8-12(11)9-15-13(16)10-17-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyJXLAUWLSGSAJCJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.43
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604971) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604971
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccccc1CNC(=O)COC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11-7-5-6-8-12(11)9-15-13(16)10-17-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyJXLAUWLSGSAJCJ-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid
CID 115949291
N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604909
2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
cis-[2-[(2-methylphenyl)methylamino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230512
2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide
CID 110678201
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
N-(1,3-benzodioxol-4-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605263
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203339
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605544

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604971) is N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1ccccc1CNC(=O)COC(C)(C)C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is JXLAUWLSGSAJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-7-5-6-8-12(11)9-15-13(16)10-17-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).