7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide

C23H25N3O5 — CID 172651877

IUPAC7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide
SMILESCCCCC(=O)NCCNc1ccc(NC(=O)c2cc(=O)c3ccc(O)cc3o2)cc1
InChIInChI=1S/C23H25N3O5/c1-2-3-4-22(29)25-12-11-24-15-5-7-16(8-6-15)26-23(30)21-14-19(28)18-10-9-17(27)13-20(18)31-21/h5-10,13-14,24,27H,2-4,11-12H2,1H3,(H,25,29)(H,26,30)
InChIKeyJIUJIQVTLBCENH-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.47
Rot. Bonds9

About 7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide

7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide (PubChem CID 172651877) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide.

Molecular Properties

Compound Name7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide
PubChem CID172651877
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide
SMILESCCCCC(=O)NCCNc1ccc(NC(=O)c2cc(=O)c3ccc(O)cc3o2)cc1
InChIInChI=1S/C23H25N3O5/c1-2-3-4-22(29)25-12-11-24-15-5-7-16(8-6-15)26-23(30)21-14-19(28)18-10-9-17(27)13-20(18)31-21/h5-10,13-14,24,27H,2-4,11-12H2,1H3,(H,25,29)(H,26,30)
InChIKeyJIUJIQVTLBCENH-UHFFFAOYSA-N
XLogP3.47
TPSA120.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
N-[3-(dimethylamino)propyl]-7-hydroxy-4-oxochromene-2-carboxamide
CID 11853766
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxochromene-2-carboxamide
CID 32938140
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397
N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365
N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide
CID 51998327
N-[3-chloro-4-(7-hydroxy-2-oxochromen-4-yl)phenyl]tetradecanamide
CID 169209212
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56586618
3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide
CID 108542562

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide?
The IUPAC name of 7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide (CID 172651877) is 7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide.
What is the SMILES notation for 7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide?
The canonical SMILES for 7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide is CCCCC(=O)NCCNc1ccc(NC(=O)c2cc(=O)c3ccc(O)cc3o2)cc1.
What is the InChIKey of 7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide?
The InChIKey is JIUJIQVTLBCENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-2-3-4-22(29)25-12-11-24-15-5-7-16(8-6-15)26-23(30)21-14-19(28)18-10-9-17(27)13-20(18)31-21/h5-10,13-14,24,27H,2-4,11-12H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide?
7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.47, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-oxo-N-[4-[2-(pentanoylamino)ethylamino]phenyl]chromene-2-carboxamide is sourced from PubChem (CID 172651877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).