N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide

C13H20N2O2 — CID 103863454

IUPACN-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCCCN(C)C
InChIInChI=1S/C13H20N2O2/c1-10-9-11(16)5-6-12(10)13(17)14-7-4-8-15(2)3/h5-6,9,16H,4,7-8H2,1-3H3,(H,14,17)
InChIKeyBZAIBAUYGYOHGM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.38
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide

N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide (PubChem CID 103863454) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
PubChem CID103863454
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCCCN(C)C
InChIInChI=1S/C13H20N2O2/c1-10-9-11(16)5-6-12(10)13(17)14-7-4-8-15(2)3/h5-6,9,16H,4,7-8H2,1-3H3,(H,14,17)
InChIKeyBZAIBAUYGYOHGM-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865446
N-[3-(dimethylamino)propyl]-5-hydroxy-2-nitrobenzamide
CID 102740857
5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 107670917
4-hydroxy-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103865108
4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103863566
4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 103872854
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide (CID 103863454) is N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide?
The InChIKey is BZAIBAUYGYOHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-9-11(16)5-6-12(10)13(17)14-7-4-8-15(2)3/h5-6,9,16H,4,7-8H2,1-3H3,(H,14,17).
What are the key properties of N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide?
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103863454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).