N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide

C23H26N2O4 — CID 135265446

IUPACN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C23H26N2O4/c1-4-5-6-11-22(26)24-18-14-16(12-13-21(18)28-3)25(2)19-15-23(27)29-20-10-8-7-9-17(19)20/h7-10,12-15H,4-6,11H2,1-3H3,(H,24,26)
InChIKeyJFRCTCDQBJQNBY-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.09
Rot. Bonds8

About N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide

N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide (PubChem CID 135265446) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide
PubChem CID135265446
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C23H26N2O4/c1-4-5-6-11-22(26)24-18-14-16(12-13-21(18)28-3)25(2)19-15-23(27)29-20-10-8-7-9-17(19)20/h7-10,12-15H,4-6,11H2,1-3H3,(H,24,26)
InChIKeyJFRCTCDQBJQNBY-UHFFFAOYSA-N
XLogP5.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide?
The IUPAC name of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide (CID 135265446) is N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide.
What is the SMILES notation for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide?
The canonical SMILES for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide is CCCCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide?
The InChIKey is JFRCTCDQBJQNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-5-6-11-22(26)24-18-14-16(12-13-21(18)28-3)25(2)19-15-23(27)29-20-10-8-7-9-17(19)20/h7-10,12-15H,4-6,11H2,1-3H3,(H,24,26).
What are the key properties of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide?
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide has a molecular weight of 394.47 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide is sourced from PubChem (CID 135265446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).