N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide

C22H21NO5 — CID 55747609

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C22H21NO5/c24-22(11-8-17-6-9-19(28-17)16-4-2-1-3-5-16)23-12-13-25-18-7-10-20-21(14-18)27-15-26-20/h1-7,9-10,14H,8,11-13,15H2,(H,23,24)
InChIKeyGKOCEXSTEMQMCS-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.80
Rot. Bonds8

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 55747609) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID55747609
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C22H21NO5/c24-22(11-8-17-6-9-19(28-17)16-4-2-1-3-5-16)23-12-13-25-18-7-10-20-21(14-18)27-15-26-20/h1-7,9-10,14H,8,11-13,15H2,(H,23,24)
InChIKeyGKOCEXSTEMQMCS-UHFFFAOYSA-N
XLogP3.80
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenoxypropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 18120278
N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9400552
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 30350371
3-(1,3-benzodioxol-5-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 18121430
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-phenoxyethyl)propanamide
CID 32934045
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735550
2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide
CID 55747511
3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide
CID 36898245
N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide
CID 55847087
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 55747351
(2S)-2-amino-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-phenylpropanamide;hydrochloride
CID 119296028

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide (CID 55747609) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide is O=C(CCc1ccc(-c2ccccc2)o1)NCCOc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is GKOCEXSTEMQMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c24-22(11-8-17-6-9-19(28-17)16-4-2-1-3-5-16)23-12-13-25-18-7-10-20-21(14-18)27-15-26-20/h1-7,9-10,14H,8,11-13,15H2,(H,23,24).
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 379.41 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 55747609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).