N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide

C12H16N2O2 — CID 7967526

IUPACN-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide
SMILESC[C@H]1CCC/C(=N\NC(=O)c2ccco2)C1
InChIInChI=1S/C12H16N2O2/c1-9-4-2-5-10(8-9)13-14-12(15)11-6-3-7-16-11/h3,6-7,9H,2,4-5,8H2,1H3,(H,14,15)/b13-10+/t9-/m0/s1
InChIKeyABSVVNNSULQUNG-CVZWZAMJSA-N
MW220.27 g/mol
LogP2.58
Rot. Bonds2

About N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide

N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide (PubChem CID 7967526) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide
PubChem CID7967526
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide
SMILESC[C@H]1CCC/C(=N\NC(=O)c2ccco2)C1
InChIInChI=1S/C12H16N2O2/c1-9-4-2-5-10(8-9)13-14-12(15)11-6-3-7-16-11/h3,6-7,9H,2,4-5,8H2,1H3,(H,14,15)/b13-10+/t9-/m0/s1
InChIKeyABSVVNNSULQUNG-CVZWZAMJSA-N
XLogP2.58
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.58
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'}

Analyze N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
CID 534328
2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 7858354
N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide
CID 6338711
N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide
CID 4925778
3-chloro-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-1-benzothiophene-2-carboxamide
CID 6339960
1-benzyl-3-[(3-methylcyclohexylidene)amino]thiourea
CID 4136086
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide
CID 17384885
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide
CID 7435064

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide?
The IUPAC name of N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide (CID 7967526) is N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide is C[C@H]1CCC/C(=N\NC(=O)c2ccco2)C1.
What is the InChIKey of N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide?
The InChIKey is ABSVVNNSULQUNG-CVZWZAMJSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-4-2-5-10(8-9)13-14-12(15)11-6-3-7-16-11/h3,6-7,9H,2,4-5,8H2,1H3,(H,14,15)/b13-10+/t9-/m0/s1.
What are the key properties of N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide?
N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide is sourced from PubChem (CID 7967526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).