N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide

C13H20N2O2 — CID 55162088

IUPACN-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)N(C)CC(C)O)cc1C
InChIInChI=1S/C13H20N2O2/c1-9-7-11(5-6-12(9)14-3)13(17)15(4)8-10(2)16/h5-7,10,14,16H,8H2,1-4H3
InChIKeyHNHVSTLKNGPRTR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.49
Rot. Bonds4

About N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide

N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide (PubChem CID 55162088) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide
PubChem CID55162088
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)N(C)CC(C)O)cc1C
InChIInChI=1S/C13H20N2O2/c1-9-7-11(5-6-12(9)14-3)13(17)15(4)8-10(2)16/h5-7,10,14,16H,8H2,1-4H3
InChIKeyHNHVSTLKNGPRTR-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-4-(methylamino)-N-(2-methylpropyl)benzamide
CID 63210523
N,3-dimethyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 63213774
N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 78925719
N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide
CID 63213909
N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide
CID 105420406
N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide
CID 63213768
4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63213865
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide
CID 107486050
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
N-cyclopropyl-3-methyl-4-(methylamino)-N-propylbenzamide
CID 63210089
3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide
CID 63185592
N-ethyl-3-methyl-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63213973

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide (CID 55162088) is N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide is CNc1ccc(C(=O)N(C)CC(C)O)cc1C.
What is the InChIKey of N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide?
The InChIKey is HNHVSTLKNGPRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-7-11(5-6-12(9)14-3)13(17)15(4)8-10(2)16/h5-7,10,14,16H,8H2,1-4H3.
What are the key properties of N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide?
N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide has a molecular weight of 236.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide is sourced from PubChem (CID 55162088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).