2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide

C17H22N2O3 — CID 54824747

IUPAC2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCCCCOc1cccc(NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C17H22N2O3/c1-2-3-9-21-15-7-4-6-14(11-15)18-13-17(20)19-12-16-8-5-10-22-16/h4-8,10-11,18H,2-3,9,12-13H2,1H3,(H,19,20)
InChIKeyQRNCAAAJBBFTFO-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.19
Rot. Bonds9

About 2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide

2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 54824747) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID54824747
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCCCCOc1cccc(NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C17H22N2O3/c1-2-3-9-21-15-7-4-6-14(11-15)18-13-17(20)19-12-16-8-5-10-22-16/h4-8,10-11,18H,2-3,9,12-13H2,1H3,(H,19,20)
InChIKeyQRNCAAAJBBFTFO-UHFFFAOYSA-N
XLogP3.19
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824768
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
CID 54821868
N-(furan-2-ylmethyl)-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834514
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)acetyl]amino]benzamide
CID 54823454
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843109
3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834422
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230
N-(furan-2-ylmethyl)-3-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820959
N-ethyl-2-(3-heptoxyanilino)acetamide
CID 54829186
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide (CID 54824747) is 2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide is CCCCOc1cccc(NCC(=O)NCc2ccco2)c1.
What is the InChIKey of 2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QRNCAAAJBBFTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-3-9-21-15-7-4-6-14(11-15)18-13-17(20)19-12-16-8-5-10-22-16/h4-8,10-11,18H,2-3,9,12-13H2,1H3,(H,19,20).
What are the key properties of 2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide?
2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 54824747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).