3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide

C16H24N2O2 — CID 124755311

IUPAC3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C[C@@H]1CCCOC1
InChIInChI=1S/C16H24N2O2/c17-16(19)8-9-18(11-14-5-2-1-3-6-14)12-15-7-4-10-20-13-15/h1-3,5-6,15H,4,7-13H2,(H2,17,19)/t15-/m0/s1
InChIKeyQCLNHQZZDREZPL-HNNXBMFYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds7

About 3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide

3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide (PubChem CID 124755311) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide
PubChem CID124755311
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C[C@@H]1CCCOC1
InChIInChI=1S/C16H24N2O2/c17-16(19)8-9-18(11-14-5-2-1-3-6-14)12-15-7-4-10-20-13-15/h1-3,5-6,15H,4,7-13H2,(H2,17,19)/t15-/m0/s1
InChIKeyQCLNHQZZDREZPL-HNNXBMFYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide 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

N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide
CID 111696306
2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol
CID 124753968
2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid
CID 65065307
2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 63713122
3-[benzyl-[(2-cyclohexylpyrimidin-5-yl)methyl]amino]propanamide
CID 91794453
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95857698
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64567514
3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide
CID 18124761
3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide
CID 34910056

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide (CID 124755311) is 3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide is NC(=O)CCN(Cc1ccccc1)C[C@@H]1CCCOC1.
What is the InChIKey of 3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide?
The InChIKey is QCLNHQZZDREZPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-16(19)8-9-18(11-14-5-2-1-3-6-14)12-15-7-4-10-20-13-15/h1-3,5-6,15H,4,7-13H2,(H2,17,19)/t15-/m0/s1.
What are the key properties of 3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide?
3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide is sourced from PubChem (CID 124755311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).