dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate

C23H37NO5 — CID 11223520

IUPACdimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate
SMILESCCCCCCCCCc1oc(NC2CCCCC2)c(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C23H37NO5/c1-4-5-6-7-8-9-13-16-18-19(22(25)27-2)20(23(26)28-3)21(29-18)24-17-14-11-10-12-15-17/h17,24H,4-16H2,1-3H3
InChIKeyRKDMXDXNMHGFAE-UHFFFAOYSA-N
MW407.55 g/mol
LogP5.89
Rot. Bonds12

About dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate

dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate (PubChem CID 11223520) has the molecular formula C23H37NO5 and a molecular weight of 407.55 g/mol. Its IUPAC name is dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate
PubChem CID11223520
Molecular FormulaC23H37NO5
Molecular Weight407.55 g/mol
Exact Mass407.27
IUPAC Namedimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate
SMILESCCCCCCCCCc1oc(NC2CCCCC2)c(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C23H37NO5/c1-4-5-6-7-8-9-13-16-18-19(22(25)27-2)20(23(26)28-3)21(29-18)24-17-14-11-10-12-15-17/h17,24H,4-16H2,1-3H3
InChIKeyRKDMXDXNMHGFAE-UHFFFAOYSA-N
XLogP5.89
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.55
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
CID 15506557
methyl 2-hexyl-1-benzofuran-3-carboxylate
CID 102288995
diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108782631
2-(cyclohexylamino)-3-hexylbenzo[f][1]benzofuran-4,9-dione
CID 51356638
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
4-(cyclohexylamino)-2-pentylbenzoic acid
CID 175412341
hexyl 2-(cyclopentylamino)-2-oxoacetate
CID 6421015
dimethyl 2-(cyclohexylamino)-5-(6,7-dimethyl-4-oxochromen-3-yl)furan-3,4-dicarboxylate
CID 139223854
1-cyclohexyl-3-(4-hexylphenyl)urea
CID 4231179

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate (CID 11223520) is dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate is CCCCCCCCCc1oc(NC2CCCCC2)c(C(=O)OC)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate?
The InChIKey is RKDMXDXNMHGFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO5/c1-4-5-6-7-8-9-13-16-18-19(22(25)27-2)20(23(26)28-3)21(29-18)24-17-14-11-10-12-15-17/h17,24H,4-16H2,1-3H3.
What are the key properties of dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate?
dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate has a molecular weight of 407.55 g/mol, XLogP of 5.89, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(cyclohexylamino)-5-nonylfuran-3,4-dicarboxylate is sourced from PubChem (CID 11223520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).