5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide

C15H18N2O3 — CID 114755595

IUPAC5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCC3(CCO)CC3)cc2c1
InChIInChI=1S/C15H18N2O3/c16-11-1-2-12-10(7-11)8-13(20-12)14(19)17-9-15(3-4-15)5-6-18/h1-2,7-8,18H,3-6,9,16H2,(H,17,19)
InChIKeyFLRRUAXHDIPOKG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.91
Rot. Bonds5

About 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide

5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 114755595) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID114755595
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCC3(CCO)CC3)cc2c1
InChIInChI=1S/C15H18N2O3/c16-11-1-2-12-10(7-11)8-13(20-12)14(19)17-9-15(3-4-15)5-6-18/h1-2,7-8,18H,3-6,9,16H2,(H,17,19)
InChIKeyFLRRUAXHDIPOKG-UHFFFAOYSA-N
XLogP1.91
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758782
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758419
5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755659
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
CID 61102723
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-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide (CID 114755595) is 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide is Nc1ccc2oc(C(=O)NCC3(CCO)CC3)cc2c1.
What is the InChIKey of 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is FLRRUAXHDIPOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-11-1-2-12-10(7-11)8-13(20-12)14(19)17-9-15(3-4-15)5-6-18/h1-2,7-8,18H,3-6,9,16H2,(H,17,19).
What are the key properties of 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 114755595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).