2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide

C22H24N2O3 — CID 54818603

IUPAC2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CNCc1ccco1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C22H24N2O3/c25-22(17-23-16-19-11-7-14-26-19)24-20-12-4-5-13-21(20)27-15-6-10-18-8-2-1-3-9-18/h1-5,7-9,11-14,23H,6,10,15-17H2,(H,24,25)
InChIKeyCTBGGZNJCVKOEM-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.02
Rot. Bonds10

About 2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide

2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 54818603) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
PubChem CID54818603
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CNCc1ccco1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C22H24N2O3/c25-22(17-23-16-19-11-7-14-26-19)24-20-12-4-5-13-21(20)27-15-6-10-18-8-2-1-3-9-18/h1-5,7-9,11-14,23H,6,10,15-17H2,(H,24,25)
InChIKeyCTBGGZNJCVKOEM-UHFFFAOYSA-N
XLogP4.02
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.02
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-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54818572
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54829343
N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843633
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076
2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
CID 6602692
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54818844
2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide (CID 54818603) is 2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide is O=C(CNCc1ccco1)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is CTBGGZNJCVKOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22(17-23-16-19-11-7-14-26-19)24-20-12-4-5-13-21(20)27-15-6-10-18-8-2-1-3-9-18/h1-5,7-9,11-14,23H,6,10,15-17H2,(H,24,25).
What are the key properties of 2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 4.02, 10 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-[2-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54818603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).