2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one

C20H21NO3 — CID 12024772

IUPAC2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one
SMILESCc1cc2oc(NC3CCCCC3)c(-c3ccccc3)c2c(=O)o1
InChIInChI=1S/C20H21NO3/c1-13-12-16-18(20(22)23-13)17(14-8-4-2-5-9-14)19(24-16)21-15-10-6-3-7-11-15/h2,4-5,8-9,12,15,21H,3,6-7,10-11H2,1H3
InChIKeyRFWNCSJZEOKQAV-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.11
Rot. Bonds3

About 2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one

2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one (PubChem CID 12024772) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one
PubChem CID12024772
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one
SMILESCc1cc2oc(NC3CCCCC3)c(-c3ccccc3)c2c(=O)o1
InChIInChI=1S/C20H21NO3/c1-13-12-16-18(20(22)23-13)17(14-8-4-2-5-9-14)19(24-16)21-15-10-6-3-7-11-15/h2,4-5,8-9,12,15,21H,3,6-7,10-11H2,1H3
InChIKeyRFWNCSJZEOKQAV-UHFFFAOYSA-N
XLogP5.11
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 2194475
Dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate
CID 12995889
Dimethyl 2-(cyclohexylamino)-5-[4-(trifluoromethyl)phenyl]furan-3,4-dicarboxylate
CID 102155952
Methyl 5-[tert-butyl-[2-(tert-butylamino)ethyl]amino]-4-phenyl-2-[4-(trifluoromethyl)phenyl]furan-3-carboxylate
CID 135054499
2-(Cyclohexylamino)-3-(4-chlorophenyl)-4h-furo[3,2-c]chromen-4-one
CID 11280858
2-(t-Butylamino)-6-methyl-3-(4-nitrophenyl)-4h-furo[3,2-c]pyran-4-one
CID 11325323
2-(Cyclohexylamino)-6-methyl-3-(4-chlorophenyl)-4h-furo[3,2-c]pyran-4-one
CID 11405650
2-(Cyclohexylamino)-6-methyl-3-(4-nitrophenyl)-4h-furo[3,2-c]pyran-4-one
CID 12024771
2-(Cyclohexylamino)-3-(4-methoxyphenyl)-4h-furo[3,2-c]chromen-4-one
CID 12024775
4-acetyl-2-(N-benzylamino)-5-methyl-3-phenylfuran
CID 15322817
1-(5-(tert-Butylamino)-2-methyl-4-phenylfuran-3-yl)ethanone
CID 15322818
2-(Cyclohexylamino)-3-methylnaphtho[2,3-b]furan-4,9-dione
CID 101432721

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one?
The IUPAC name of 2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one (CID 12024772) is 2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one.
What is the SMILES notation for 2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one?
The canonical SMILES for 2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one is Cc1cc2oc(NC3CCCCC3)c(-c3ccccc3)c2c(=O)o1.
What is the InChIKey of 2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one?
The InChIKey is RFWNCSJZEOKQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13-12-16-18(20(22)23-13)17(14-8-4-2-5-9-14)19(24-16)21-15-10-6-3-7-11-15/h2,4-5,8-9,12,15,21H,3,6-7,10-11H2,1H3.
What are the key properties of 2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one?
2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one has a molecular weight of 323.39 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one is sourced from PubChem (CID 12024772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).