N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide

C15H18N2O3 — CID 119431846

IUPACN-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
SMILESCNCCCNC(=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C15H18N2O3/c1-16-10-5-11-17-15(18)13-8-9-14(20-13)19-12-6-3-2-4-7-12/h2-4,6-9,16H,5,10-11H2,1H3,(H,17,18)
InChIKeyYYOSGEOEWHBOPJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.41
Rot. Bonds7

About N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide

N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide (PubChem CID 119431846) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
PubChem CID119431846
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
SMILESCNCCCNC(=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C15H18N2O3/c1-16-10-5-11-17-15(18)13-8-9-14(20-13)19-12-6-3-2-4-7-12/h2-4,6-9,16H,5,10-11H2,1H3,(H,17,18)
InChIKeyYYOSGEOEWHBOPJ-UHFFFAOYSA-N
XLogP2.41
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.41
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-butyl-5-phenoxyfuran-2-carboxamide
CID 127265058
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-phenoxyfuran-2-carboxamide
CID 70658082
5-phenoxy-N-(2-phenylethyl)furan-2-carboxamide
CID 75361139
N-(2-hydroxyethyl)-5-(4-methylphenoxy)furan-2-carboxamide
CID 71690489
5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
CID 119392648
N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide
CID 91938782
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide
CID 90651689
N-[(3-carbamoylphenyl)methyl]-5-phenoxyfuran-2-carboxamide
CID 71863392
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 166223936
5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119432467
N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
CID 119431897
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide (CID 119431846) is N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide is CNCCCNC(=O)c1ccc(Oc2ccccc2)o1.
What is the InChIKey of N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide?
The InChIKey is YYOSGEOEWHBOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16-10-5-11-17-15(18)13-8-9-14(20-13)19-12-6-3-2-4-7-12/h2-4,6-9,16H,5,10-11H2,1H3,(H,17,18).
What are the key properties of N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide?
N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide is sourced from PubChem (CID 119431846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).