N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H21NO3 — CID 112604669

IUPACN-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1cc(C)ccc1NC(=O)COC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-10-6-7-11(12(8-10)17-5)15-13(16)9-18-14(2,3)4/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyFNWNDOXTHIIXCL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.76
Rot. Bonds4

About N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604669) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604669
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1cc(C)ccc1NC(=O)COC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-10-6-7-11(12(8-10)17-5)15-13(16)9-18-14(2,3)4/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyFNWNDOXTHIIXCL-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
2-[2-(2-methoxy-4-methylanilino)-2-oxoethoxy]acetic acid
CID 61328811
3-(tert-butylamino)-N-(2-methoxy-4-methylphenyl)propanamide
CID 54863187
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604853
N-(2-methoxy-4-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119740565
N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958038
3-amino-N-(2-methoxy-4-methylphenyl)butanamide
CID 60928646
2-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569170
2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide
CID 79805209
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide
CID 3499953
5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62966442

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604669) is N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is COc1cc(C)ccc1NC(=O)COC(C)(C)C.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is FNWNDOXTHIIXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-6-7-11(12(8-10)17-5)15-13(16)9-18-14(2,3)4/h6-8H,9H2,1-5H3,(H,15,16).
What are the key properties of N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 251.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).