2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one

C24H23NO4 — CID 12024775

IUPAC2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one
SMILESCOc1ccc(-c2c(NC3CCCCC3)oc3c2c(=O)oc2ccccc23)cc1
InChIInChI=1S/C24H23NO4/c1-27-17-13-11-15(12-14-17)20-21-22(18-9-5-6-10-19(18)28-24(21)26)29-23(20)25-16-7-3-2-4-8-16/h5-6,9-14,16,25H,2-4,7-8H2,1H3
InChIKeyRHYUGZXTPPLTPM-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.96
Rot. Bonds4

About 2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one

2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one (PubChem CID 12024775) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one
PubChem CID12024775
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one
SMILESCOc1ccc(-c2c(NC3CCCCC3)oc3c2c(=O)oc2ccccc23)cc1
InChIInChI=1S/C24H23NO4/c1-27-17-13-11-15(12-14-17)20-21-22(18-9-5-6-10-19(18)28-24(21)26)29-23(20)25-16-7-3-2-4-8-16/h5-6,9-14,16,25H,2-4,7-8H2,1H3
InChIKeyRHYUGZXTPPLTPM-UHFFFAOYSA-N
XLogP5.96
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxyethyl)amino]-6-methyl-3-(3,4,5-trimethoxyphenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462555
4-[4-(2-butyl-1-benzofuran-3-carbonyl)phenoxy]-N-[(1S)-1-phenylethyl]butanamide
CID 164626985
4-[4-(2-butyl-1-benzofuran-3-carbonyl)phenoxy]-N-[(1R)-1-phenylethyl]butanamide
CID 164622581
3-(4-fluorophenyl)-2-((2-methoxyethyl)amino)-8-methyl-4H-furo[3,2-c]chromen-4-one
CID 16462218
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
3-(2,3-dimethoxyphenyl)-2-((2-methoxyethyl)amino)-4H-furo[3,2-c]chromen-4-one
CID 8741325
2-((2-methoxyethyl)amino)-3-(3,4,5-trimethoxyphenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462075
2-((2-methoxyethyl)amino)-6-methyl-3-(2-nitrophenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462528
2-((2-methoxyethyl)amino)-6-methyl-3-(4-nitrophenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462530
2-((2-methoxyethyl)amino)-8-methyl-3-(3-nitrophenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462531
2-(Cyclohexylamino)-3-(4-nitrophenyl)-4h-furo[3,2-c]chromen-4-one
CID 11200525

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one?
The IUPAC name of 2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one (CID 12024775) is 2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one?
The canonical SMILES for 2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one is COc1ccc(-c2c(NC3CCCCC3)oc3c2c(=O)oc2ccccc23)cc1.
What is the InChIKey of 2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one?
The InChIKey is RHYUGZXTPPLTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-27-17-13-11-15(12-14-17)20-21-22(18-9-5-6-10-19(18)28-24(21)26)29-23(20)25-16-7-3-2-4-8-16/h5-6,9-14,16,25H,2-4,7-8H2,1H3.
What are the key properties of 2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one?
2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one has a molecular weight of 389.45 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3-(4-methoxyphenyl)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 12024775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).