3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide

C13H18N2O3 — CID 103848289

IUPAC3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC2(O)CCOC2)c1
InChIInChI=1S/C13H18N2O3/c14-12(16)11-3-1-2-10(6-11)7-15-8-13(17)4-5-18-9-13/h1-3,6,15,17H,4-5,7-9H2,(H2,14,16)
InChIKeyZDSFHXBWPGFTLK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.03
Rot. Bonds5

About 3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide

3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide (PubChem CID 103848289) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
PubChem CID103848289
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC2(O)CCOC2)c1
InChIInChI=1S/C13H18N2O3/c14-12(16)11-3-1-2-10(6-11)7-15-8-13(17)4-5-18-9-13/h1-3,6,15,17H,4-5,7-9H2,(H2,14,16)
InChIKeyZDSFHXBWPGFTLK-UHFFFAOYSA-N
XLogP0.03
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
N'-hydroxy-3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]benzenecarboximidamide
CID 81130732
N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 154739738
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848358
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
CID 103743332
3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide
CID 115358989
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol
CID 103848442
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide?
The IUPAC name of 3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide (CID 103848289) is 3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide is NC(=O)c1cccc(CNCC2(O)CCOC2)c1.
What is the InChIKey of 3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide?
The InChIKey is ZDSFHXBWPGFTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-12(16)11-3-1-2-10(6-11)7-15-8-13(17)4-5-18-9-13/h1-3,6,15,17H,4-5,7-9H2,(H2,14,16).
What are the key properties of 3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide?
3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 103848289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).