5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide

C14H18N2O3 — CID 79247714

IUPAC5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(CO)NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H18N2O3/c1-8(2)11(7-17)16-14(18)13-6-9-5-10(15)3-4-12(9)19-13/h3-6,8,11,17H,7,15H2,1-2H3,(H,16,18)
InChIKeyMPECDJAEOCGKPL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.76
Rot. Bonds4

About 5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide

5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 79247714) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID79247714
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(CO)NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H18N2O3/c1-8(2)11(7-17)16-14(18)13-6-9-5-10(15)3-4-12(9)19-13/h3-6,8,11,17H,7,15H2,1-2H3,(H,16,18)
InChIKeyMPECDJAEOCGKPL-UHFFFAOYSA-N
XLogP1.76
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.76
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

5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 61469067
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 61092642
5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 82946153
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-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 106281010
5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide
CID 106021592
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide (CID 79247714) is 5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide is CC(C)C(CO)NC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is MPECDJAEOCGKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8(2)11(7-17)16-14(18)13-6-9-5-10(15)3-4-12(9)19-13/h3-6,8,11,17H,7,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 79247714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).