2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide

C17H26N2O2 — CID 4573044

IUPAC2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2ccoc2C)CC1
InChIInChI=1S/C17H26N2O2/c1-5-17(3,4)13-6-8-14(9-7-13)18-19-16(20)15-10-11-21-12(15)2/h10-11,13H,5-9H2,1-4H3,(H,19,20)/b18-14-
InChIKeyBMUBZZVUDGFGAV-JXAWBTAJSA-N
MW290.41 g/mol
LogP4.30
Rot. Bonds4

About 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide

2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide (PubChem CID 4573044) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide
PubChem CID4573044
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2ccoc2C)CC1
InChIInChI=1S/C17H26N2O2/c1-5-17(3,4)13-6-8-14(9-7-13)18-19-16(20)15-10-11-21-12(15)2/h10-11,13H,5-9H2,1-4H3,(H,19,20)/b18-14-
InChIKeyBMUBZZVUDGFGAV-JXAWBTAJSA-N
XLogP4.30
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide (CID 4573044) is 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide is CCC(C)(C)C1CCC(=NNC(=O)c2ccoc2C)CC1.
What is the InChIKey of 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide?
The InChIKey is BMUBZZVUDGFGAV-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-17(3,4)13-6-8-14(9-7-13)18-19-16(20)15-10-11-21-12(15)2/h10-11,13H,5-9H2,1-4H3,(H,19,20)/b18-14-.
What are the key properties of 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide?
2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide is sourced from PubChem (CID 4573044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).