2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide

C13H20N2O3 — CID 66186004

IUPAC2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCC(C)(O)CO)cc1
InChIInChI=1S/C13H20N2O3/c1-10-3-5-11(6-4-10)15-12(17)7-14-8-13(2,18)9-16/h3-6,14,16,18H,7-9H2,1-2H3,(H,15,17)
InChIKeyGQRXOKGGQUVPGN-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.27
Rot. Bonds6

About 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide

2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 66186004) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID66186004
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCC(C)(O)CO)cc1
InChIInChI=1S/C13H20N2O3/c1-10-3-5-11(6-4-10)15-12(17)7-14-8-13(2,18)9-16/h3-6,14,16,18H,7-9H2,1-2H3,(H,15,17)
InChIKeyGQRXOKGGQUVPGN-UHFFFAOYSA-N
XLogP0.27
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide (CID 66186004) is 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNCC(C)(O)CO)cc1.
What is the InChIKey of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is GQRXOKGGQUVPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-3-5-11(6-4-10)15-12(17)7-14-8-13(2,18)9-16/h3-6,14,16,18H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide?
2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66186004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).