3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide

C13H20N2O3 — CID 103992655

IUPAC3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCCCOCCO)c1
InChIInChI=1S/C13H20N2O3/c14-13(17)12-4-1-3-11(9-12)10-15-5-2-7-18-8-6-16/h1,3-4,9,15-16H,2,5-8,10H2,(H2,14,17)
InChIKeyPISXWOBOCPMWCY-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.27
Rot. Bonds9

About 3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide

3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide (PubChem CID 103992655) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
PubChem CID103992655
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCCCOCCO)c1
InChIInChI=1S/C13H20N2O3/c14-13(17)12-4-1-3-11(9-12)10-15-5-2-7-18-8-6-16/h1,3-4,9,15-16H,2,5-8,10H2,(H2,14,17)
InChIKeyPISXWOBOCPMWCY-UHFFFAOYSA-N
XLogP0.27
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
CID 60976249
3-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 28583702
4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
CID 106309827
3-[[3-(2-phenylethoxy)propylamino]methyl]benzoic acid
CID 122030496
3-[(4,4,4-trifluorobutylamino)methyl]benzamide
CID 79039829
3-[(3-methylsulfanylpropylamino)methyl]benzamide
CID 43426792
3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzonitrile
CID 103992538
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide?
The IUPAC name of 3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide (CID 103992655) is 3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide.
What is the SMILES notation for 3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide?
The canonical SMILES for 3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide is NC(=O)c1cccc(CNCCCOCCO)c1.
What is the InChIKey of 3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide?
The InChIKey is PISXWOBOCPMWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-13(17)12-4-1-3-11(9-12)10-15-5-2-7-18-8-6-16/h1,3-4,9,15-16H,2,5-8,10H2,(H2,14,17).
What are the key properties of 3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide?
3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide has a molecular weight of 252.31 g/mol, XLogP of 0.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide is sourced from PubChem (CID 103992655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).