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

C16H20N2O2 — CID 4990217

IUPAC2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)c2ccoc2C)C1
InChIInChI=1S/C16H20N2O2/c1-10(2)13-6-5-11(3)15(9-13)17-18-16(19)14-7-8-20-12(14)4/h5,7-8,13H,1,6,9H2,2-4H3,(H,18,19)
InChIKeyBTGCLWKWVOTLAF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.61
Rot. Bonds3

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

2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide (PubChem CID 4990217) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide
PubChem CID4990217
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)c2ccoc2C)C1
InChIInChI=1S/C16H20N2O2/c1-10(2)13-6-5-11(3)15(9-13)17-18-16(19)14-7-8-20-12(14)4/h5,7-8,13H,1,6,9H2,2-4H3,(H,18,19)
InChIKeyBTGCLWKWVOTLAF-UHFFFAOYSA-N
XLogP3.61
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.61
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'}

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Related Compounds

2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide
CID 8518721
2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 4208427
4-hydroxy-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 6510708
4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 5410881
N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 6141737
N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide
CID 4937912
(1S)-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7428888
4-(butanoylamino)-N-[(E)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 38055725
3-chloro-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-1-benzothiophene-2-carboxamide
CID 1011643
(3R)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9237800
4-[2-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid
CID 8971356
2-(2-methylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 4041514

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide (CID 4990217) is 2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide is C=C(C)C1CC=C(C)C(=NNC(=O)c2ccoc2C)C1.
What is the InChIKey of 2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide?
The InChIKey is BTGCLWKWVOTLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)13-6-5-11(3)15(9-13)17-18-16(19)14-7-8-20-12(14)4/h5,7-8,13H,1,6,9H2,2-4H3,(H,18,19).
What are the key properties of 2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide?
2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide is sourced from PubChem (CID 4990217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).