N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide

C16H24N2O3 — CID 111520491

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide
SMILESCN(C)C1(CNC(=O)C(O)c2ccccc2)CCOCC1
InChIInChI=1S/C16H24N2O3/c1-18(2)16(8-10-21-11-9-16)12-17-15(20)14(19)13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3,(H,17,20)
InChIKeyPKCKGGMSPKBLBI-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.95
Rot. Bonds5

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide

N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide (PubChem CID 111520491) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide
PubChem CID111520491
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide
SMILESCN(C)C1(CNC(=O)C(O)c2ccccc2)CCOCC1
InChIInChI=1S/C16H24N2O3/c1-18(2)16(8-10-21-11-9-16)12-17-15(20)14(19)13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3,(H,17,20)
InChIKeyPKCKGGMSPKBLBI-UHFFFAOYSA-N
XLogP0.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119885266
(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
CID 104897629
(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
CID 167798849
2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride
CID 119947204
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride
CID 119336127
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide
CID 4787583
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008870

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide (CID 111520491) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide is CN(C)C1(CNC(=O)C(O)c2ccccc2)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is PKCKGGMSPKBLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18(2)16(8-10-21-11-9-16)12-17-15(20)14(19)13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3,(H,17,20).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 292.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111520491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).