N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide

C14H15NO4 — CID 167762290

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)OCO2)C12CC1C2
InChIInChI=1S/C14H15NO4/c16-13(14-6-9(14)7-14)15-3-4-17-10-1-2-11-12(5-10)19-8-18-11/h1-2,5,9H,3-4,6-8H2,(H,15,16)
InChIKeyRQBFXFMXIQDFTB-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167762290) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID167762290
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)OCO2)C12CC1C2
InChIInChI=1S/C14H15NO4/c16-13(14-6-9(14)7-14)15-3-4-17-10-1-2-11-12(5-10)19-8-18-11/h1-2,5,9H,3-4,6-8H2,(H,15,16)
InChIKeyRQBFXFMXIQDFTB-UHFFFAOYSA-N
XLogP1.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 30350371
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 112975116
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
trans-(1R,2R)-2-[2-(1,3-benzodioxol-5-yloxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119800
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119735567
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735550
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-cyclopropyl-1-[(4-fluorophenyl)methyl]urea
CID 52658460
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-butyl-1-methylurea
CID 112975151
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55741471
9-amino-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986252
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
4-acetyl-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119115774

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide (CID 167762290) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide is O=C(NCCOc1ccc2c(c1)OCO2)C12CC1C2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is RQBFXFMXIQDFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-13(14-6-9(14)7-14)15-3-4-17-10-1-2-11-12(5-10)19-8-18-11/h1-2,5,9H,3-4,6-8H2,(H,15,16).
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167762290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).