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

C27H34N2O4 — CID 135265397

IUPACN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C27H34N2O4/c1-4-5-6-7-8-9-10-15-26(30)28-22-18-20(16-17-25(22)32-3)29(2)23-19-27(31)33-24-14-12-11-13-21(23)24/h11-14,16-19H,4-10,15H2,1-3H3,(H,28,30)
InChIKeyIAQDQAFYVVOHEE-UHFFFAOYSA-N
MW450.58 g/mol
LogP6.65
Rot. Bonds12

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

N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide (PubChem CID 135265397) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide
PubChem CID135265397
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC NameN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C27H34N2O4/c1-4-5-6-7-8-9-10-15-26(30)28-22-18-20(16-17-25(22)32-3)29(2)23-19-27(31)33-24-14-12-11-13-21(23)24/h11-14,16-19H,4-10,15H2,1-3H3,(H,28,30)
InChIKeyIAQDQAFYVVOHEE-UHFFFAOYSA-N
XLogP6.65
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.65
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]decanamide?
The IUPAC name of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide (CID 135265397) is N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide.
What is the SMILES notation for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide?
The canonical SMILES for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide is CCCCCCCCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide?
The InChIKey is IAQDQAFYVVOHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-4-5-6-7-8-9-10-15-26(30)28-22-18-20(16-17-25(22)32-3)29(2)23-19-27(31)33-24-14-12-11-13-21(23)24/h11-14,16-19H,4-10,15H2,1-3H3,(H,28,30).
What are the key properties of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide?
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide has a molecular weight of 450.58 g/mol, XLogP of 6.65, 12 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]decanamide is sourced from PubChem (CID 135265397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).