2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide

C17H22N2O2 — CID 8518721

IUPAC2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide
SMILESC=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2cc(C)oc2C)C1
InChIInChI=1S/C17H22N2O2/c1-10(2)14-7-6-11(3)16(9-14)18-19-17(20)15-8-12(4)21-13(15)5/h6,8,14H,1,7,9H2,2-5H3,(H,19,20)/b18-16-/t14-/m0/s1
InChIKeyQBABMSZDRLFIFQ-HFUDNHEJSA-N
MW286.38 g/mol
LogP3.91
Rot. Bonds3

About 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide

2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide (PubChem CID 8518721) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide
PubChem CID8518721
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide
SMILESC=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2cc(C)oc2C)C1
InChIInChI=1S/C17H22N2O2/c1-10(2)14-7-6-11(3)16(9-14)18-19-17(20)15-8-12(4)21-13(15)5/h6,8,14H,1,7,9H2,2-5H3,(H,19,20)/b18-16-/t14-/m0/s1
InChIKeyQBABMSZDRLFIFQ-HFUDNHEJSA-N
XLogP3.91
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide (CID 8518721) is 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide is C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2cc(C)oc2C)C1.
What is the InChIKey of 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide?
The InChIKey is QBABMSZDRLFIFQ-HFUDNHEJSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10(2)14-7-6-11(3)16(9-14)18-19-17(20)15-8-12(4)21-13(15)5/h6,8,14H,1,7,9H2,2-5H3,(H,19,20)/b18-16-/t14-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide?
2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide is sourced from PubChem (CID 8518721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).