N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide

C18H22N2O3 — CID 53282150

IUPACN-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NCCCc1ccco1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O3/c21-18(19-9-1-3-17-4-2-12-23-17)15-5-7-16(8-6-15)20-10-13-22-14-11-20/h2,4-8,12H,1,3,9-11,13-14H2,(H,19,21)
InChIKeyXKIGMGFBQYJKAQ-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.48
Rot. Bonds6

About N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide

N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide (PubChem CID 53282150) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide
PubChem CID53282150
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NCCCc1ccco1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O3/c21-18(19-9-1-3-17-4-2-12-23-17)15-5-7-16(8-6-15)20-10-13-22-14-11-20/h2,4-8,12H,1,3,9-11,13-14H2,(H,19,21)
InChIKeyXKIGMGFBQYJKAQ-UHFFFAOYSA-N
XLogP2.48
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
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)-4-piperidin-1-ylbenzamide
CID 53282405
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 53286121
3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
CID 16890049
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 74236548
4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
CID 138035822
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
N-[3-(furan-2-yl)propyl]quinoxaline-6-carboxamide
CID 74240216
4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
CID 53281281
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
CID 53283301
N-cyclopentyl-4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]benzamide
CID 42434130

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide (CID 53282150) is N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide is O=C(NCCCc1ccco1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide?
The InChIKey is XKIGMGFBQYJKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-18(19-9-1-3-17-4-2-12-23-17)15-5-7-16(8-6-15)20-10-13-22-14-11-20/h2,4-8,12H,1,3,9-11,13-14H2,(H,19,21).
What are the key properties of N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide?
N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide has a molecular weight of 314.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 53282150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).