2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide

C13H20N2O2 — CID 55039856

IUPAC2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCOc1ccc(C(NC(C)C)C(N)=O)cc1C
InChIInChI=1S/C13H20N2O2/c1-8(2)15-12(13(14)16)10-5-6-11(17-4)9(3)7-10/h5-8,12,15H,1-4H3,(H2,14,16)
InChIKeyHDXPJANIYSSFEH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.53
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide

2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 55039856) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID55039856
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCOc1ccc(C(NC(C)C)C(N)=O)cc1C
InChIInChI=1S/C13H20N2O2/c1-8(2)15-12(13(14)16)10-5-6-11(17-4)9(3)7-10/h5-8,12,15H,1-4H3,(H2,14,16)
InChIKeyHDXPJANIYSSFEH-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethylamino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62542227
2-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754348
2-(4-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62131360
2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 62133911
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 58785891
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026746
2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 54908186
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803
1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82313813
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide (CID 55039856) is 2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide is COc1ccc(C(NC(C)C)C(N)=O)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is HDXPJANIYSSFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)15-12(13(14)16)10-5-6-11(17-4)9(3)7-10/h5-8,12,15H,1-4H3,(H2,14,16).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide?
2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 55039856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).