6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid

C21H27NO6 — CID 3378282

IUPAC6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid
SMILESCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCCCCC(=O)O)c12
InChIInChI=1S/C21H27NO6/c1-3-7-15-12-20(26)28-17-11-14(2)10-16(21(15)17)27-13-18(23)22-9-6-4-5-8-19(24)25/h10-12H,3-9,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyIWOZUBVJLZJOCY-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.19
Rot. Bonds11

About 6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid

6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid (PubChem CID 3378282) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is 6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid
PubChem CID3378282
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC Name6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid
SMILESCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCCCCC(=O)O)c12
InChIInChI=1S/C21H27NO6/c1-3-7-15-12-20(26)28-17-11-14(2)10-16(21(15)17)27-13-18(23)22-9-6-4-5-8-19(24)25/h10-12H,3-9,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyIWOZUBVJLZJOCY-UHFFFAOYSA-N
XLogP3.19
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4906700
2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid
CID 3664519
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 933118
2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 4562834
7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one
CID 664968
2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
CID 4901940
3-[[2-[(8,8-dimethyl-2-oxo-4-propyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]propanoic acid
CID 8015910
N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide
CID 4911162
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide
CID 99796950
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
CID 4905395
3-methyl-2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]butanoic acid
CID 71949437

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid (CID 3378282) is 6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid is CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCCCCC(=O)O)c12.
What is the InChIKey of 6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid?
The InChIKey is IWOZUBVJLZJOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6/c1-3-7-15-12-20(26)28-17-11-14(2)10-16(21(15)17)27-13-18(23)22-9-6-4-5-8-19(24)25/h10-12H,3-9,13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid?
6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid has a molecular weight of 389.45 g/mol, XLogP of 3.19, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid is sourced from PubChem (CID 3378282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).