N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide

C13H19NO3 — CID 66168615

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(C)(O)CO
InChIInChI=1S/C13H19NO3/c1-10-5-3-4-6-11(10)7-12(16)14-8-13(2,17)9-15/h3-6,15,17H,7-9H2,1-2H3,(H,14,16)
InChIKeySCDZQNZSYUORNB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.40
Rot. Bonds5

About N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide

N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide (PubChem CID 66168615) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
PubChem CID66168615
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(C)(O)CO
InChIInChI=1S/C13H19NO3/c1-10-5-3-4-6-11(10)7-12(16)14-8-13(2,17)9-15/h3-6,15,17H,7-9H2,1-2H3,(H,14,16)
InChIKeySCDZQNZSYUORNB-UHFFFAOYSA-N
XLogP0.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 65109576
3-hydroxy-3-methyl-4-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
CID 66002915
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide
CID 104858311
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148243
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 66169594
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide
CID 66169997
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide (CID 66168615) is N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCC(C)(O)CO.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide?
The InChIKey is SCDZQNZSYUORNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-5-3-4-6-11(10)7-12(16)14-8-13(2,17)9-15/h3-6,15,17H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide?
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 66168615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).