2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C18H21NO3 — CID 28633501

IUPAC2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-14(2)22-17-10-8-15(9-11-17)12-19-18(20)13-21-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyRHIQLKYROSEYOE-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.17
Rot. Bonds7

About 2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 28633501) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID28633501
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-14(2)22-17-10-8-15(9-11-17)12-19-18(20)13-21-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyRHIQLKYROSEYOE-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911139
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732905
2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911105
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
CID 9194458
2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide
CID 55509837
2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43909294
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 28633501) is 2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1ccc(CNC(=O)COc2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is RHIQLKYROSEYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14(2)22-17-10-8-15(9-11-17)12-19-18(20)13-21-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,19,20).
What are the key properties of 2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 28633501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).