N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide

C15H23NO3 — CID 166718963

IUPACN-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide
SMILESCOc1cccc(CNC(C)=O)c1CCOC(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)19-9-8-14-13(10-16-12(3)17)6-5-7-15(14)18-4/h5-7,11H,8-10H2,1-4H3,(H,16,17)
InChIKeyKZKLTXJCWWVWCB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.30
Rot. Bonds7

About N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide

N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide (PubChem CID 166718963) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide
PubChem CID166718963
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide
SMILESCOc1cccc(CNC(C)=O)c1CCOC(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)19-9-8-14-13(10-16-12(3)17)6-5-7-15(14)18-4/h5-7,11H,8-10H2,1-4H3,(H,16,17)
InChIKeyKZKLTXJCWWVWCB-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
dimethyl 3-(acetamidomethyl)benzene-1,2-dicarboxylate
CID 21040132
2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985304
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
CID 83337824
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 9382807

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide (CID 166718963) is N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide is COc1cccc(CNC(C)=O)c1CCOC(C)C.
What is the InChIKey of N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide?
The InChIKey is KZKLTXJCWWVWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)19-9-8-14-13(10-16-12(3)17)6-5-7-15(14)18-4/h5-7,11H,8-10H2,1-4H3,(H,16,17).
What are the key properties of N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide?
N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide has a molecular weight of 265.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 166718963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).