N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide

C11H20N2O4 — CID 7013044

IUPACN-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESCOCCCNC(=O)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C11H20N2O4/c1-16-6-3-5-12-10(14)11(15)13-8-9-4-2-7-17-9/h9H,2-8H2,1H3,(H,12,14)(H,13,15)/t9-/m1/s1
InChIKeyIXWZQPHKXJZTCB-SECBINFHSA-N
MW244.29 g/mol
LogP-0.57
Rot. Bonds6

About N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide

N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 7013044) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID7013044
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC NameN-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESCOCCCNC(=O)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C11H20N2O4/c1-16-6-3-5-12-10(14)11(15)13-8-9-4-2-7-17-9/h9H,2-8H2,1H3,(H,12,14)(H,13,15)/t9-/m1/s1
InChIKeyIXWZQPHKXJZTCB-SECBINFHSA-N
XLogP-0.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7034176
2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
CID 81081044
N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943055
N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide
CID 108507620
N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704
N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251671
2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119670121
1-(3-methoxypropyl)-3-[2-(oxan-2-yl)ethyl]thiourea
CID 113360619
2-(2-methoxyethylamino)-N-(oxan-2-ylmethyl)acetamide
CID 79281834
2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
CID 62472979

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 7013044) is N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide is COCCCNC(=O)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is IXWZQPHKXJZTCB-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-16-6-3-5-12-10(14)11(15)13-8-9-4-2-7-17-9/h9H,2-8H2,1H3,(H,12,14)(H,13,15)/t9-/m1/s1.
What are the key properties of N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 244.29 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 7013044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).