2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide

C20H28N2O3 — CID 54818809

IUPAC2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNCc2ccco2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-3-4-5-6-13-24-18-11-9-17(10-12-18)22-20(23)16-21-15-19-8-7-14-25-19/h7-12,14,21H,2-6,13,15-16H2,1H3,(H,22,23)
InChIKeyUIXCBFOSEJWADB-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.36
Rot. Bonds12

About 2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide

2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide (PubChem CID 54818809) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide
PubChem CID54818809
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNCc2ccco2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-3-4-5-6-13-24-18-11-9-17(10-12-18)22-20(23)16-21-15-19-8-7-14-25-19/h7-12,14,21H,2-6,13,15-16H2,1H3,(H,22,23)
InChIKeyUIXCBFOSEJWADB-UHFFFAOYSA-N
XLogP4.36
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.36
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

2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54818844
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
CID 54821868
N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54818705
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
N-(furan-2-ylmethyl)-3-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820959
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)acetyl]amino]benzamide
CID 54823454
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
N-(4-butoxyphenyl)-2-(ethylamino)acetamide
CID 54821038
N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 54818376
2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
CID 54808874
N-[4-(dimethylamino)phenyl]-2-(furan-2-ylmethylamino)acetamide
CID 54773447

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide (CID 54818809) is 2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide is CCCCCCCOc1ccc(NC(=O)CNCc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide?
The InChIKey is UIXCBFOSEJWADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-3-4-5-6-13-24-18-11-9-17(10-12-18)22-20(23)16-21-15-19-8-7-14-25-19/h7-12,14,21H,2-6,13,15-16H2,1H3,(H,22,23).
What are the key properties of 2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide?
2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide has a molecular weight of 344.46 g/mol, XLogP of 4.36, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide is sourced from PubChem (CID 54818809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).