N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide

C10H15N3O4 — CID 113450295

IUPACN-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NCC#N)CCOC1
InChIInChI=1S/C10H15N3O4/c1-16-10(2-5-17-7-10)6-13-9(15)8(14)12-4-3-11/h2,4-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyGOLXQTLSKADVRN-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.45
Rot. Bonds4

About N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide

N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide (PubChem CID 113450295) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
PubChem CID113450295
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NCC#N)CCOC1
InChIInChI=1S/C10H15N3O4/c1-16-10(2-5-17-7-10)6-13-9(15)8(14)12-4-3-11/h2,4-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyGOLXQTLSKADVRN-UHFFFAOYSA-N
XLogP-1.45
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyoxolan-3-yl)methylurea
CID 104704481
2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 113450296
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104708935
2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide
CID 104764443
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide?
The IUPAC name of N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide (CID 113450295) is N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide is COC1(CNC(=O)C(=O)NCC#N)CCOC1.
What is the InChIKey of N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide?
The InChIKey is GOLXQTLSKADVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-16-10(2-5-17-7-10)6-13-9(15)8(14)12-4-3-11/h2,4-7H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide?
N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide has a molecular weight of 241.25 g/mol, XLogP of -1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide is sourced from PubChem (CID 113450295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).