2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide

C13H20N2O2 — CID 43389800

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(C)(C)CO)c1
InChIInChI=1S/C13H20N2O2/c1-10-5-4-6-11(7-10)15-12(17)8-14-13(2,3)9-16/h4-7,14,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyNDVHCDHHRCENAO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.29
Rot. Bonds5

About 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide (PubChem CID 43389800) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide
PubChem CID43389800
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(C)(C)CO)c1
InChIInChI=1S/C13H20N2O2/c1-10-5-4-6-11(7-10)15-12(17)8-14-13(2,3)9-16/h4-7,14,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyNDVHCDHHRCENAO-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid
CID 79788912
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 103911929
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996302
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
(3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide
CID 59627240
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
CID 107865329
N-(3-acetylphenyl)-2-(tert-butylamino)acetamide
CID 31628083
N-(3-methylphenyl)acetamide
CID 10843

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide (CID 43389800) is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNC(C)(C)CO)c1.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide?
The InChIKey is NDVHCDHHRCENAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-5-4-6-11(7-10)15-12(17)8-14-13(2,3)9-16/h4-7,14,16H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide?
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 43389800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).