5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide

C17H24N2O2 — CID 106021592

IUPAC5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide
SMILESCCCCC(CCC)NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C17H24N2O2/c1-3-5-7-14(6-4-2)19-17(20)16-11-12-10-13(18)8-9-15(12)21-16/h8-11,14H,3-7,18H2,1-2H3,(H,19,20)
InChIKeyRRPMSZAHGSJKTC-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.10
Rot. Bonds7

About 5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide

5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide (PubChem CID 106021592) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide
PubChem CID106021592
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide
SMILESCCCCC(CCC)NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C17H24N2O2/c1-3-5-7-14(6-4-2)19-17(20)16-11-12-10-13(18)8-9-15(12)21-16/h8-11,14H,3-7,18H2,1-2H3,(H,19,20)
InChIKeyRRPMSZAHGSJKTC-UHFFFAOYSA-N
XLogP4.10
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788
5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 79247714
4-amino-2-methoxy-N-octan-4-ylbenzamide
CID 106021761
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131
5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 82946153
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 61092642
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 61092001
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide (CID 106021592) is 5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide is CCCCC(CCC)NC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide?
The InChIKey is RRPMSZAHGSJKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-5-7-14(6-4-2)19-17(20)16-11-12-10-13(18)8-9-15(12)21-16/h8-11,14H,3-7,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide?
5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 106021592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).