N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide

C11H18N2O4 — CID 7034176

IUPACN-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESC=COCCNC(=O)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C11H18N2O4/c1-2-16-7-5-12-10(14)11(15)13-8-9-4-3-6-17-9/h2,9H,1,3-8H2,(H,12,14)(H,13,15)/t9-/m1/s1
InChIKeyXCGBFMNVKPWINP-SECBINFHSA-N
MW242.27 g/mol
LogP-0.44
Rot. Bonds6

About N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide

N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 7034176) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID7034176
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESC=COCCNC(=O)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C11H18N2O4/c1-2-16-7-5-12-10(14)11(15)13-8-9-4-3-6-17-9/h2,9H,1,3-8H2,(H,12,14)(H,13,15)/t9-/m1/s1
InChIKeyXCGBFMNVKPWINP-SECBINFHSA-N
XLogP-0.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7013045
N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7013044
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
3-ethenoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 78914606
N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide
CID 108507620
N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704
N-(oxolan-2-ylmethyl)prop-2-enamide
CID 15332973
N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943055
N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2287959
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
[(2R)-oxolan-2-yl]methyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
CID 100762559
N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide
CID 51362590

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 7034176) is N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide is C=COCCNC(=O)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is XCGBFMNVKPWINP-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-16-7-5-12-10(14)11(15)13-8-9-4-3-6-17-9/h2,9H,1,3-8H2,(H,12,14)(H,13,15)/t9-/m1/s1.
What are the key properties of N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 242.27 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 7034176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).