N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide

C9H17N3O3 — CID 115759237

IUPACN-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NC1CCOC1
InChIInChI=1S/C9H17N3O3/c1-7(13)10-3-4-11-9(14)12-8-2-5-15-6-8/h8H,2-6H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyHQRATIGTLXBJDL-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.79
Rot. Bonds4

About N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide

N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide (PubChem CID 115759237) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
PubChem CID115759237
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NC1CCOC1
InChIInChI=1S/C9H17N3O3/c1-7(13)10-3-4-11-9(14)12-8-2-5-15-6-8/h8H,2-6H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyHQRATIGTLXBJDL-UHFFFAOYSA-N
XLogP-0.79
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(oxolan-3-yl)urea
CID 115755742
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115759183
1-(4-aminopentyl)-3-(oxolan-3-yl)urea
CID 106125032
1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
CID 116657253
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(oxolan-3-yl)urea
CID 113321959
1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea
CID 106153750
N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide
CID 59418797
1-[4-[methyl(propan-2-yl)amino]butyl]-3-(oxolan-3-yl)urea
CID 115758991
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
CID 115759096
1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
CID 115759088
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide (CID 115759237) is N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide is CC(=O)NCCNC(=O)NC1CCOC1.
What is the InChIKey of N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide?
The InChIKey is HQRATIGTLXBJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-7(13)10-3-4-11-9(14)12-8-2-5-15-6-8/h8H,2-6H2,1H3,(H,10,13)(H2,11,12,14).
What are the key properties of N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide?
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide has a molecular weight of 215.25 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 115759237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).