methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial

C25H32N2O6 — CID 145279080

IUPACmethoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial
SMILESCNc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC.COC.O=CCCCC=O
InChIInChI=1S/C18H18N2O3.C5H8O2.C2H6O/c1-19-14-10-12(8-9-17(14)22-3)20(2)15-11-18(21)23-16-7-5-4-6-13(15)16;6-4-2-1-3-5-7;1-3-2/h4-11,19H,1-3H3;4-5H,1-3H2;1-2H3
InChIKeyJDUGEYWLPPZLTR-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.43
Rot. Bonds8

About methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial

methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial (PubChem CID 145279080) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial.

Molecular Properties

Compound Namemethoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial
PubChem CID145279080
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Namemethoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial
SMILESCNc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC.COC.O=CCCCC=O
InChIInChI=1S/C18H18N2O3.C5H8O2.C2H6O/c1-19-14-10-12(8-9-17(14)22-3)20(2)15-11-18(21)23-16-7-5-4-6-13(15)16;6-4-2-1-3-5-7;1-3-2/h4-11,19H,1-3H3;4-5H,1-3H2;1-2H3
InChIKeyJDUGEYWLPPZLTR-UHFFFAOYSA-N
XLogP4.43
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one
CID 145279050
methyl 2-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]anilino]-2-oxoacetate
CID 135259626
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide
CID 135265412
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide
CID 135259614
(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
(2S)-2-amino-N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-phenylacetamide
CID 167438387
[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
4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one
CID 135259640
[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] 4-methylbenzenesulfonate
CID 135265484
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 methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial?
The IUPAC name of methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial (CID 145279080) is methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial.
What is the SMILES notation for methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial?
The canonical SMILES for methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial is CNc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC.COC.O=CCCCC=O.
What is the InChIKey of methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial?
The InChIKey is JDUGEYWLPPZLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3.C5H8O2.C2H6O/c1-19-14-10-12(8-9-17(14)22-3)20(2)15-11-18(21)23-16-7-5-4-6-13(15)16;6-4-2-1-3-5-7;1-3-2/h4-11,19H,1-3H3;4-5H,1-3H2;1-2H3.
What are the key properties of methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial?
methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial has a molecular weight of 456.54 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial is sourced from PubChem (CID 145279080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).