5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide

C15H18N2O3 — CID 61127124

IUPAC5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCCC3CCCO3)cc2c1
InChIInChI=1S/C15H18N2O3/c16-11-3-4-13-10(8-11)9-14(20-13)15(18)17-6-5-12-2-1-7-19-12/h3-4,8-9,12H,1-2,5-7,16H2,(H,17,18)
InChIKeyCYODRDUTJJZMGM-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.31
Rot. Bonds4

About 5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide

5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 61127124) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID61127124
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCCC3CCCO3)cc2c1
InChIInChI=1S/C15H18N2O3/c16-11-3-4-13-10(8-11)9-14(20-13)15(18)17-6-5-12-2-1-7-19-12/h3-4,8-9,12H,1-2,5-7,16H2,(H,17,18)
InChIKeyCYODRDUTJJZMGM-UHFFFAOYSA-N
XLogP2.31
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
CID 61102723
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide
CID 61126926
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 61126143
3-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 61127532
5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 80596349
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 81042497

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide (CID 61127124) is 5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide is Nc1ccc2oc(C(=O)NCCC3CCCO3)cc2c1.
What is the InChIKey of 5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is CYODRDUTJJZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-11-3-4-13-10(8-11)9-14(20-13)15(18)17-6-5-12-2-1-7-19-12/h3-4,8-9,12H,1-2,5-7,16H2,(H,17,18).
What are the key properties of 5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide?
5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61127124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).