N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide

C25H25N3O6 — CID 11669849

IUPACN-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1ccc(C#CCNC(=O)c2cc3cc(OCCN4CCOCC4)ccc3o2)cc1
InChIInChI=1S/C25H25N3O6/c29-24(27-31)19-5-3-18(4-6-19)2-1-9-26-25(30)23-17-20-16-21(7-8-22(20)34-23)33-15-12-28-10-13-32-14-11-28/h3-8,16-17,31H,9-15H2,(H,26,30)(H,27,29)
InChIKeyBSQJCAVAFBXTRC-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.04
Rot. Bonds7

About N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide

N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide (PubChem CID 11669849) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide
PubChem CID11669849
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC NameN-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1ccc(C#CCNC(=O)c2cc3cc(OCCN4CCOCC4)ccc3o2)cc1
InChIInChI=1S/C25H25N3O6/c29-24(27-31)19-5-3-18(4-6-19)2-1-9-26-25(30)23-17-20-16-21(7-8-22(20)34-23)33-15-12-28-10-13-32-14-11-28/h3-8,16-17,31H,9-15H2,(H,26,30)(H,27,29)
InChIKeyBSQJCAVAFBXTRC-UHFFFAOYSA-N
XLogP2.04
TPSA113.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-5-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-2-carboxamide
CID 87108915
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-2-carboxamide
CID 68733651
N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690240
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
N-hydroxy-2-(2-morpholin-4-ylethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
CID 87563400
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-1-benzofuran-2-carboxamide
CID 90550119
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide
CID 5455254
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide (CID 11669849) is N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide is O=C(NO)c1ccc(C#CCNC(=O)c2cc3cc(OCCN4CCOCC4)ccc3o2)cc1.
What is the InChIKey of N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide?
The InChIKey is BSQJCAVAFBXTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c29-24(27-31)19-5-3-18(4-6-19)2-1-9-26-25(30)23-17-20-16-21(7-8-22(20)34-23)33-15-12-28-10-13-32-14-11-28/h3-8,16-17,31H,9-15H2,(H,26,30)(H,27,29).
What are the key properties of N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide?
N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11669849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).