2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one

C24H23NO5 — CID 18887998

IUPAC2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one
SMILESCCOc1ccc(-c2c(NCc3ccccc3)oc3cc(C)oc(=O)c23)cc1OC
InChIInChI=1S/C24H23NO5/c1-4-28-18-11-10-17(13-19(18)27-3)21-22-20(12-15(2)29-24(22)26)30-23(21)25-14-16-8-6-5-7-9-16/h5-13,25H,4,14H2,1-3H3
InChIKeyUMPHVRZRWUGFFN-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.38
Rot. Bonds7

About 2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one

2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one (PubChem CID 18887998) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one.

Molecular Properties

Compound Name2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one
PubChem CID18887998
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one
SMILESCCOc1ccc(-c2c(NCc3ccccc3)oc3cc(C)oc(=O)c23)cc1OC
InChIInChI=1S/C24H23NO5/c1-4-28-18-11-10-17(13-19(18)27-3)21-22-20(12-15(2)29-24(22)26)30-23(21)25-14-16-8-6-5-7-9-16/h5-13,25H,4,14H2,1-3H3
InChIKeyUMPHVRZRWUGFFN-UHFFFAOYSA-N
XLogP5.38
TPSA73.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzylamino)-3-(4-tert-butylphenyl)-6-methylfuro[3,2-c]pyran-4-one
CID 18887976
2-anilino-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one
CID 18887582
2-(2,4-dimethylanilino)-3-(4-ethoxy-3-methoxyphenyl)furo[3,2-c]chromen-4-one
CID 18887645
N-benzyl-4-[4-(benzylamino)-3-ethoxyphenyl]-2-ethoxyaniline
CID 71722373
4-(benzenesulfonyl)-N-benzyl-2-(3,4-dimethoxyphenyl)-1,3-oxazol-5-amine
CID 1154494
2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran
CID 11069311
N-benzyl-2,6-dimethoxy-4-methylaniline
CID 140970852
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
benzyl 2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 44963701
N-benzyl-3-[3-(4-ethoxy-3-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135859320
N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4-dimethoxybenzamide
CID 17252009
N-(4-ethoxy-3-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 9100487

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one?
The IUPAC name of 2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one (CID 18887998) is 2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one.
What is the SMILES notation for 2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one?
The canonical SMILES for 2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one is CCOc1ccc(-c2c(NCc3ccccc3)oc3cc(C)oc(=O)c23)cc1OC.
What is the InChIKey of 2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one?
The InChIKey is UMPHVRZRWUGFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-4-28-18-11-10-17(13-19(18)27-3)21-22-20(12-15(2)29-24(22)26)30-23(21)25-14-16-8-6-5-7-9-16/h5-13,25H,4,14H2,1-3H3.
What are the key properties of 2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one?
2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one has a molecular weight of 405.45 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3-(4-ethoxy-3-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one is sourced from PubChem (CID 18887998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).