N-(2-ethenoxyethyl)-N'-propan-2-yloxamide

C9H16N2O3 — CID 2057115

IUPACN-(2-ethenoxyethyl)-N'-propan-2-yloxamide
SMILESC=COCCNC(=O)C(=O)NC(C)C
InChIInChI=1S/C9H16N2O3/c1-4-14-6-5-10-8(12)9(13)11-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13)
InChIKeyHLTXPIMUIXIMQH-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.21
Rot. Bonds5

About N-(2-ethenoxyethyl)-N'-propan-2-yloxamide

N-(2-ethenoxyethyl)-N'-propan-2-yloxamide (PubChem CID 2057115) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(2-ethenoxyethyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(2-ethenoxyethyl)-N'-propan-2-yloxamide
PubChem CID2057115
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-(2-ethenoxyethyl)-N'-propan-2-yloxamide
SMILESC=COCCNC(=O)C(=O)NC(C)C
InChIInChI=1S/C9H16N2O3/c1-4-14-6-5-10-8(12)9(13)11-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13)
InChIKeyHLTXPIMUIXIMQH-UHFFFAOYSA-N
XLogP-0.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethyl)-N'-propan-2-yloxamide?
The IUPAC name of N-(2-ethenoxyethyl)-N'-propan-2-yloxamide (CID 2057115) is N-(2-ethenoxyethyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N-(2-ethenoxyethyl)-N'-propan-2-yloxamide?
The canonical SMILES for N-(2-ethenoxyethyl)-N'-propan-2-yloxamide is C=COCCNC(=O)C(=O)NC(C)C.
What is the InChIKey of N-(2-ethenoxyethyl)-N'-propan-2-yloxamide?
The InChIKey is HLTXPIMUIXIMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-14-6-5-10-8(12)9(13)11-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13).
What are the key properties of N-(2-ethenoxyethyl)-N'-propan-2-yloxamide?
N-(2-ethenoxyethyl)-N'-propan-2-yloxamide has a molecular weight of 200.24 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 2057115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).