2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide

C14H14N2O4 — CID 108996348

IUPAC2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc2c(c1)OCO2)NCc1ccco1
InChIInChI=1S/C14H14N2O4/c17-14(16-7-11-2-1-5-18-11)8-15-10-3-4-12-13(6-10)20-9-19-12/h1-6,15H,7-9H2,(H,16,17)
InChIKeyXFDCRUKFILDRPQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.74
Rot. Bonds5

About 2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide

2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 108996348) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide
PubChem CID108996348
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc2c(c1)OCO2)NCc1ccco1
InChIInChI=1S/C14H14N2O4/c17-14(16-7-11-2-1-5-18-11)8-15-10-3-4-12-13(6-10)20-9-19-12/h1-6,15H,7-9H2,(H,16,17)
InChIKeyXFDCRUKFILDRPQ-UHFFFAOYSA-N
XLogP1.74
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17439553
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742
2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666642
2-(1,3-benzodioxol-5-ylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998484
4-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209418
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
2-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 94282177
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
CID 3154022
N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112981821
2-[[N'-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111843523

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide (CID 108996348) is 2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide is O=C(CNc1ccc2c(c1)OCO2)NCc1ccco1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XFDCRUKFILDRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-14(16-7-11-2-1-5-18-11)8-15-10-3-4-12-13(6-10)20-9-19-12/h1-6,15H,7-9H2,(H,16,17).
What are the key properties of 2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide?
2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 108996348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).