2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

C23H22N4O5 — CID 154925524

IUPAC2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
SMILESCOc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)NCCNc2ncccn2)cc1
InChIInChI=1S/C23H22N4O5/c1-14-12-18-20(22(29)31-14)17(21(32-18)15-4-6-16(30-2)7-5-15)13-19(28)24-10-11-27-23-25-8-3-9-26-23/h3-9,12H,10-11,13H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyAASCLRAUSYTFME-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.93
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (PubChem CID 154925524) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
PubChem CID154925524
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
SMILESCOc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)NCCNc2ncccn2)cc1
InChIInChI=1S/C23H22N4O5/c1-14-12-18-20(22(29)31-14)17(21(32-18)15-4-6-16(30-2)7-5-15)13-19(28)24-10-11-27-23-25-8-3-9-26-23/h3-9,12H,10-11,13H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyAASCLRAUSYTFME-UHFFFAOYSA-N
XLogP2.93
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
CID 134716963
N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
CID 134716919
2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide
CID 155486617
2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 155486625
N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
CID 146048709
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
CID 154925442
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
CID 154925321
2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid
CID 135638908
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[2-(4-methoxyphenyl)-4-oxofuro[3,2-c]chromen-3-yl]acetamide
CID 171038274
2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropyl]acetamide
CID 154925453
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55839663
3-(3,4-dichlorophenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 55933060

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (CID 154925524) is 2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is COc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)NCCNc2ncccn2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The InChIKey is AASCLRAUSYTFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-14-12-18-20(22(29)31-14)17(21(32-18)15-4-6-16(30-2)7-5-15)13-19(28)24-10-11-27-23-25-8-3-9-26-23/h3-9,12H,10-11,13H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide has a molecular weight of 434.45 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 154925524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).