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

C22H22N2O4 — CID 135265412

IUPACN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide
SMILESC=CCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C22H22N2O4/c1-4-5-10-21(25)23-17-13-15(11-12-20(17)27-3)24(2)18-14-22(26)28-19-9-7-6-8-16(18)19/h4,6-9,11-14H,1,5,10H2,2-3H3,(H,23,25)
InChIKeyCCYRVPNZOMOQED-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.47
Rot. Bonds7

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

N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide (PubChem CID 135265412) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide
PubChem CID135265412
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide
SMILESC=CCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C22H22N2O4/c1-4-5-10-21(25)23-17-13-15(11-12-20(17)27-3)24(2)18-14-22(26)28-19-9-7-6-8-16(18)19/h4,6-9,11-14H,1,5,10H2,2-3H3,(H,23,25)
InChIKeyCCYRVPNZOMOQED-UHFFFAOYSA-N
XLogP4.47
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide
CID 135259614
methyl 2-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]anilino]-2-oxoacetate
CID 135259626
formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one
CID 145279050
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide
CID 175380473
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
(2S)-2-(dibutylamino)-N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]propanamide
CID 175862582
[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] 3-methylbut-2-enoate
CID 135265494
4-[4-methoxy-N-methyl-3-(11-oxododecoxy)anilino]chromen-2-one
CID 160882643
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 175389088
(2S)-N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 167438435
4-[3-(2-amino-3-hydroxybutanoyl)-4-methoxy-N-methylanilino]chromen-2-one
CID 175576953

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide?
The IUPAC name of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide (CID 135265412) is N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide.
What is the SMILES notation for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide?
The canonical SMILES for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide is C=CCCC(=O)Nc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide?
The InChIKey is CCYRVPNZOMOQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-4-5-10-21(25)23-17-13-15(11-12-20(17)27-3)24(2)18-14-22(26)28-19-9-7-6-8-16(18)19/h4,6-9,11-14H,1,5,10H2,2-3H3,(H,23,25).
What are the key properties of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide?
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide has a molecular weight of 378.43 g/mol, XLogP of 4.47, 7 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]pent-4-enamide is sourced from PubChem (CID 135265412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).