4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one

C13H18N2O2 — CID 142239386

IUPAC4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one
SMILESCN(Cc1ccccc1)CC1OCC(N)C1=O
InChIInChI=1S/C13H18N2O2/c1-15(7-10-5-3-2-4-6-10)8-12-13(16)11(14)9-17-12/h2-6,11-12H,7-9,14H2,1H3
InChIKeyLPEMUTOUCVNSRD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.41
Rot. Bonds4

About 4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one

4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one (PubChem CID 142239386) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one
PubChem CID142239386
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one
SMILESCN(Cc1ccccc1)CC1OCC(N)C1=O
InChIInChI=1S/C13H18N2O2/c1-15(7-10-5-3-2-4-6-10)8-12-13(16)11(14)9-17-12/h2-6,11-12H,7-9,14H2,1H3
InChIKeyLPEMUTOUCVNSRD-UHFFFAOYSA-N
XLogP0.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylpropyl)oxolane-2-carboxamide
CID 6467126
N-(1-phenylethyl)tetrahydro-2-furancarboxamide
CID 2931490
(2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one
CID 11045089
(3S)-3-methoxy-4-[[(1R)-1-phenylethyl]amino]butan-2-one
CID 134849326
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 119309353
(2R)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 119309363
2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide
CID 120993536
(2R)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896915
(2R)-N-[(1S)-1-phenylpropyl]oxolane-2-carboxamide
CID 8059901
2-[(Benzylamino)methyl]-4-(tert-butylamino)oxolan-3-one
CID 20750308
2-[[Benzyl(methyl)amino]methyl]-4-(tert-butylamino)oxolan-3-one
CID 20750309
5-[(Benzylamino)methyl]-4-(tert-butylamino)oxolan-3-one
CID 20750378

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one?
The IUPAC name of 4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one (CID 142239386) is 4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one?
The canonical SMILES for 4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one is CN(Cc1ccccc1)CC1OCC(N)C1=O.
What is the InChIKey of 4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one?
The InChIKey is LPEMUTOUCVNSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(7-10-5-3-2-4-6-10)8-12-13(16)11(14)9-17-12/h2-6,11-12H,7-9,14H2,1H3.
What are the key properties of 4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one?
4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one has a molecular weight of 234.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 142239386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).