N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide

C20H28N2O3 — CID 54821868

IUPACN-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
SMILESCCCCCCCOc1ccc(NCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-3-4-5-6-13-24-18-11-9-17(10-12-18)21-16-20(23)22-15-19-8-7-14-25-19/h7-12,14,21H,2-6,13,15-16H2,1H3,(H,22,23)
InChIKeyQHCZRWYDARCYMO-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.36
Rot. Bonds12

About N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide

N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide (PubChem CID 54821868) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
PubChem CID54821868
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
SMILESCCCCCCCOc1ccc(NCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-3-4-5-6-13-24-18-11-9-17(10-12-18)21-16-20(23)22-15-19-8-7-14-25-19/h7-12,14,21H,2-6,13,15-16H2,1H3,(H,22,23)
InChIKeyQHCZRWYDARCYMO-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54824747
N-(furan-2-ylmethyl)-3-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820959
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide
CID 54818809
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843109
N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821313
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)acetyl]amino]benzamide
CID 54823454
N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54832198
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
N-(furan-2-ylmethyl)-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834514

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide (CID 54821868) is N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide is CCCCCCCOc1ccc(NCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide?
The InChIKey is QHCZRWYDARCYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-3-4-5-6-13-24-18-11-9-17(10-12-18)21-16-20(23)22-15-19-8-7-14-25-19/h7-12,14,21H,2-6,13,15-16H2,1H3,(H,22,23).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide?
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)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 N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide is sourced from PubChem (CID 54821868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).