N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H21NO3 — CID 112604453

IUPACN-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOCc1ccccc1NC(=O)COC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-10-13(16)15-12-8-6-5-7-11(12)9-17-4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyAGZUCVQNLACSOX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.59
Rot. Bonds5

About N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604453) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604453
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOCc1ccccc1NC(=O)COC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-10-13(16)15-12-8-6-5-7-11(12)9-17-4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyAGZUCVQNLACSOX-UHFFFAOYSA-N
XLogP2.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002
N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide
CID 86989240
N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
(E)-4-[2-(methoxymethyl)anilino]-4-oxobut-2-enoic acid
CID 54868087
N-(2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide
CID 61062982
2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide
CID 79797184
N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943345
N-[2-(diethylaminomethyl)phenyl]-2-methoxyacetamide
CID 60794575
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
N-[2-(methoxymethyl)phenyl]-2-(methylamino)propanamide
CID 62637466
1-(4-hydroxyphenyl)-3-[2-(methoxymethyl)phenyl]urea
CID 86800658

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604453) is N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is COCc1ccccc1NC(=O)COC(C)(C)C.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is AGZUCVQNLACSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-10-13(16)15-12-8-6-5-7-11(12)9-17-4/h5-8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 251.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).