N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide

C16H22N2O4 — CID 96562652

IUPACN-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
SMILESCNC(=O)C(=O)Nc1cccc(COC[C@H]2CCCCO2)c1
InChIInChI=1S/C16H22N2O4/c1-17-15(19)16(20)18-13-6-4-5-12(9-13)10-21-11-14-7-2-3-8-22-14/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,19)(H,18,20)/t14-/m1/s1
InChIKeyVHPCSXVKHMGENZ-CQSZACIVSA-N
MW306.36 g/mol
LogP1.46
Rot. Bonds5

About N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide

N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide (PubChem CID 96562652) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
PubChem CID96562652
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
SMILESCNC(=O)C(=O)Nc1cccc(COC[C@H]2CCCCO2)c1
InChIInChI=1S/C16H22N2O4/c1-17-15(19)16(20)18-13-6-4-5-12(9-13)10-21-11-14-7-2-3-8-22-14/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,19)(H,18,20)/t14-/m1/s1
InChIKeyVHPCSXVKHMGENZ-CQSZACIVSA-N
XLogP1.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.46
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

(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883
1-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-3-propan-2-ylthiourea
CID 94587170
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210
4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 47066120
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
CID 55913856
1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea
CID 95760194
1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 102556165
2,4-difluoro-6-hydroxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 71883387
(2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide
CID 124855855
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide?
The IUPAC name of N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide (CID 96562652) is N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide.
What is the SMILES notation for N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide?
The canonical SMILES for N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide is CNC(=O)C(=O)Nc1cccc(COC[C@H]2CCCCO2)c1.
What is the InChIKey of N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide?
The InChIKey is VHPCSXVKHMGENZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-17-15(19)16(20)18-13-6-4-5-12(9-13)10-21-11-14-7-2-3-8-22-14/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,19)(H,18,20)/t14-/m1/s1.
What are the key properties of N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide?
N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide has a molecular weight of 306.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide is sourced from PubChem (CID 96562652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).