2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide

C15H22N2O3 — CID 62133911

IUPAC2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESCOc1ccc(C(NCC2CCCO2)C(N)=O)cc1C
InChIInChI=1S/C15H22N2O3/c1-10-8-11(5-6-13(10)19-2)14(15(16)18)17-9-12-4-3-7-20-12/h5-6,8,12,14,17H,3-4,7,9H2,1-2H3,(H2,16,18)
InChIKeyOWEUZRUUHOHQFL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.30
Rot. Bonds6

About 2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide

2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 62133911) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID62133911
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESCOc1ccc(C(NCC2CCCO2)C(N)=O)cc1C
InChIInChI=1S/C15H22N2O3/c1-10-8-11(5-6-13(10)19-2)14(15(16)18)17-9-12-4-3-7-20-12/h5-6,8,12,14,17H,3-4,7,9H2,1-2H3,(H2,16,18)
InChIKeyOWEUZRUUHOHQFL-UHFFFAOYSA-N
XLogP1.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 107686173
2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54892069
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
2-(2-methoxyethylamino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62542227
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890052
methyl 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 60993064
methyl 2-(3-chloro-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 81145280
methyl 2-[3-(difluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)acetate
CID 115527064
2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54916019
2-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61006052

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 62133911) is 2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide is COc1ccc(C(NCC2CCCO2)C(N)=O)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is OWEUZRUUHOHQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-8-11(5-6-13(10)19-2)14(15(16)18)17-9-12-4-3-7-20-12/h5-6,8,12,14,17H,3-4,7,9H2,1-2H3,(H2,16,18).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 62133911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).