2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide

C19H23N3O4 — CID 124978968

IUPAC2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cc1
InChIInChI=1S/C19H23N3O4/c1-24-15-5-7-16(8-6-15)26-13-18(23)20-10-14-11-21-19(22-12-14)17-4-2-3-9-25-17/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyLXSFVULSILDGLS-KRWDZBQOSA-N
MW357.41 g/mol
LogP2.42
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide

2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide (PubChem CID 124978968) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
PubChem CID124978968
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cc1
InChIInChI=1S/C19H23N3O4/c1-24-15-5-7-16(8-6-15)26-13-18(23)20-10-14-11-21-19(22-12-14)17-4-2-3-9-25-17/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyLXSFVULSILDGLS-KRWDZBQOSA-N
XLogP2.42
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide 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

2-(4-methoxyphenoxy)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117732
2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124977627
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117798
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117751
3-fluoro-4-methoxy-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 125002782
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124950410
5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
CID 124956730
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125023729
4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124945377

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide (CID 124978968) is 2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide is COc1ccc(OCC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The InChIKey is LXSFVULSILDGLS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-15-5-7-16(8-6-15)26-13-18(23)20-10-14-11-21-19(22-12-14)17-4-2-3-9-25-17/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of 2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 124978968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).