4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

C13H20N2O2 — CID 113344177

IUPAC4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(9-16)15(4)13(17)11-5-7-12(8-6-11)14(2)3/h5-8,10,16H,9H2,1-4H3
InChIKeyBDSZVOWGHILSEE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.21
Rot. Bonds4

About 4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (PubChem CID 113344177) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
PubChem CID113344177
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(9-16)15(4)13(17)11-5-7-12(8-6-11)14(2)3/h5-8,10,16H,9H2,1-4H3
InChIKeyBDSZVOWGHILSEE-UHFFFAOYSA-N
XLogP1.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
N-(1-hydroxypropan-2-yl)-N-methyl-4-sulfanylbenzamide
CID 107034868
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
4-(bromomethyl)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 102852055
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 63223051
4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113343131
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
(E)-3-[4-[1-hydroxypropan-2-yl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 104553923
N-(1-hydroxypropan-2-yl)-N-methyl-3-sulfanylbenzamide
CID 107034867
N-butan-2-yl-4-hydroxy-N-methylbenzamide
CID 43273177

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (CID 113344177) is 4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is CC(CO)N(C)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The InChIKey is BDSZVOWGHILSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(9-16)15(4)13(17)11-5-7-12(8-6-11)14(2)3/h5-8,10,16H,9H2,1-4H3.
What are the key properties of 4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 113344177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).