6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid

C20H21NO4 — CID 119352194

IUPAC6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
SMILESCc1c(C(=O)NCCCCCC(=O)O)oc2c1ccc1ccccc12
InChIInChI=1S/C20H21NO4/c1-13-15-11-10-14-7-4-5-8-16(14)19(15)25-18(13)20(24)21-12-6-2-3-9-17(22)23/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyVRYBDHFNXWFPON-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.27
Rot. Bonds7

About 6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid

6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid (PubChem CID 119352194) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
PubChem CID119352194
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
SMILESCc1c(C(=O)NCCCCCC(=O)O)oc2c1ccc1ccccc12
InChIInChI=1S/C20H21NO4/c1-13-15-11-10-14-7-4-5-8-16(14)19(15)25-18(13)20(24)21-12-6-2-3-9-17(22)23/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyVRYBDHFNXWFPON-UHFFFAOYSA-N
XLogP4.27
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 86834650
6-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 119219938
N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 27644530
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 25404880
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
3-methyl-2-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]butanoic acid
CID 119348344
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
CID 86825646

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid (CID 119352194) is 6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid is Cc1c(C(=O)NCCCCCC(=O)O)oc2c1ccc1ccccc12.
What is the InChIKey of 6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid?
The InChIKey is VRYBDHFNXWFPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13-15-11-10-14-7-4-5-8-16(14)19(15)25-18(13)20(24)21-12-6-2-3-9-17(22)23/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid?
6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid has a molecular weight of 339.39 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 119352194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).