N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide

C13H20N2O3 — CID 110026112

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C13H20N2O3/c1-13(18,9-15(2)3)8-14-12(17)10-5-4-6-11(16)7-10/h4-7,16,18H,8-9H2,1-3H3,(H,14,17)
InChIKeyQMMXCNLQYGRJPF-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.43
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide (PubChem CID 110026112) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
PubChem CID110026112
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C13H20N2O3/c1-13(18,9-15(2)3)8-14-12(17)10-5-4-6-11(16)7-10/h4-7,16,18H,8-9H2,1-3H3,(H,14,17)
InChIKeyQMMXCNLQYGRJPF-UHFFFAOYSA-N
XLogP0.43
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide
CID 103840032
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
CID 115364515
3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110465856
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
CID 106139474
3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139483
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethylbenzamide
CID 103839801
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(triazol-1-yl)benzamide
CID 109481241
N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]benzamide
CID 103839771
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 103840192

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide (CID 110026112) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide is CN(C)CC(C)(O)CNC(=O)c1cccc(O)c1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide?
The InChIKey is QMMXCNLQYGRJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(18,9-15(2)3)8-14-12(17)10-5-4-6-11(16)7-10/h4-7,16,18H,8-9H2,1-3H3,(H,14,17).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide is sourced from PubChem (CID 110026112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).