N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide

C15H21NO4 — CID 114951541

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)COc1ccccc1
InChIInChI=1S/C15H21NO4/c1-16(12-15(18)7-9-19-10-8-15)14(17)11-20-13-5-3-2-4-6-13/h2-6,18H,7-12H2,1H3
InChIKeyGMKSBVRKZGFILY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.07
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide (PubChem CID 114951541) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide
PubChem CID114951541
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)COc1ccccc1
InChIInChI=1S/C15H21NO4/c1-16(12-15(18)7-9-19-10-8-15)14(17)11-20-13-5-3-2-4-6-13/h2-6,18H,7-12H2,1H3
InChIKeyGMKSBVRKZGFILY-UHFFFAOYSA-N
XLogP1.07
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114946878
2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760086
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114948737
2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114951477
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide
CID 114948710
N-[[(3S)-1-benzyl-3-hydroxypyrrolidin-3-yl]methyl]-2-(4-ethoxyphenoxy)-N-methylacetamide
CID 99788008
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704148
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 114951750
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 114951485
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide
CID 114951614
2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759697

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide (CID 114951541) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide is CN(CC1(O)CCOCC1)C(=O)COc1ccccc1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide?
The InChIKey is GMKSBVRKZGFILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-16(12-15(18)7-9-19-10-8-15)14(17)11-20-13-5-3-2-4-6-13/h2-6,18H,7-12H2,1H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide has a molecular weight of 279.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide is sourced from PubChem (CID 114951541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).