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

C24H28N2O4 — CID 135259614

IUPACN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C24H28N2O4/c1-4-5-6-7-12-23(27)25-19-15-17(13-14-22(19)29-3)26(2)20-16-24(28)30-21-11-9-8-10-18(20)21/h8-11,13-16H,4-7,12H2,1-3H3,(H,25,27)
InChIKeyIKQQNGBXQFHMPJ-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.48
Rot. Bonds9

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

N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide (PubChem CID 135259614) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide
PubChem CID135259614
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C24H28N2O4/c1-4-5-6-7-12-23(27)25-19-15-17(13-14-22(19)29-3)26(2)20-16-24(28)30-21-11-9-8-10-18(20)21/h8-11,13-16H,4-7,12H2,1-3H3,(H,25,27)
InChIKeyIKQQNGBXQFHMPJ-UHFFFAOYSA-N
XLogP5.48
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.48
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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Related Compounds

N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide
CID 135265412
methyl 2-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]anilino]-2-oxoacetate
CID 135259626
(2S)-2-(dibutylamino)-N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]propanamide
CID 175862582
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide
CID 175380473
formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one
CID 145279050
methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial
CID 145279080
(2S)-2-amino-N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-phenylacetamide
CID 167438387
4-[4-methoxy-N-methyl-3-(11-oxododecoxy)anilino]chromen-2-one
CID 160882643
[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] 3-methylbut-2-enoate
CID 135265494
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 175389088

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide?
The IUPAC name of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide (CID 135259614) is N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide.
What is the SMILES notation for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide?
The canonical SMILES for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide is CCCCCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide?
The InChIKey is IKQQNGBXQFHMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-4-5-6-7-12-23(27)25-19-15-17(13-14-22(19)29-3)26(2)20-16-24(28)30-21-11-9-8-10-18(20)21/h8-11,13-16H,4-7,12H2,1-3H3,(H,25,27).
What are the key properties of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide?
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide has a molecular weight of 408.50 g/mol, XLogP of 5.48, 9 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]heptanamide is sourced from PubChem (CID 135259614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).