N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide

C17H24N2O4 — CID 125144932

IUPACN-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
SMILESCC(C)Oc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H24N2O4/c1-12(2)23-14-7-5-13(6-8-14)10-18-16(20)17(21)19-11-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyLNBXJAFMAUBBOD-HNNXBMFYSA-N
MW320.39 g/mol
LogP1.39
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide

N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide (PubChem CID 125144932) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
PubChem CID125144932
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
SMILESCC(C)Oc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H24N2O4/c1-12(2)23-14-7-5-13(6-8-14)10-18-16(20)17(21)19-11-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyLNBXJAFMAUBBOD-HNNXBMFYSA-N
XLogP1.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588
N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144930
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588157
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053079
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829868

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide (CID 125144932) is N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide is CC(C)Oc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide?
The InChIKey is LNBXJAFMAUBBOD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(2)23-14-7-5-13(6-8-14)10-18-16(20)17(21)19-11-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide?
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide has a molecular weight of 320.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide is sourced from PubChem (CID 125144932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).