4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide

C13H20N2O2 — CID 107672200

IUPAC4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCN(C)C(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-10-9-11(5-6-12(10)16)13(17)15(3)8-4-7-14-2/h5-6,9,14,16H,4,7-8H2,1-3H3
InChIKeyRBRPPOXPVGZSCI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.38
Rot. Bonds5

About 4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide

4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide (PubChem CID 107672200) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide
PubChem CID107672200
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCN(C)C(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-10-9-11(5-6-12(10)16)13(17)15(3)8-4-7-14-2/h5-6,9,14,16H,4,7-8H2,1-3H3
InChIKeyRBRPPOXPVGZSCI-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

6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115353690
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide
CID 166591494
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
CID 114326834
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
3-methoxy-N-methyl-N-[3-(methylamino)propyl]-4-nitrobenzamide
CID 104783349
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 103956399
methyl 3-methyl-4-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]benzoate;hydrochloride
CID 154903879
N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 107673300
4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide
CID 59238546
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide (CID 107672200) is 4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide is CNCCCN(C)C(=O)c1ccc(O)c(C)c1.
What is the InChIKey of 4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide?
The InChIKey is RBRPPOXPVGZSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-9-11(5-6-12(10)16)13(17)15(3)8-4-7-14-2/h5-6,9,14,16H,4,7-8H2,1-3H3.
What are the key properties of 4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide?
4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide 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 4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 107672200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).