N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide

C20H20N4O2 — CID 111046763

IUPACN-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(N/C(N)=N/Cc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-7-9-16(10-8-14)24-20(21)22-13-15-4-2-5-17(12-15)23-19(25)18-6-3-11-26-18/h2-12H,13H2,1H3,(H,23,25)(H3,21,22,24)
InChIKeyKAMSWSCXBWLNEZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.77
Rot. Bonds5

About N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide

N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 111046763) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID111046763
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(N/C(N)=N/Cc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-7-9-16(10-8-14)24-20(21)22-13-15-4-2-5-17(12-15)23-19(25)18-6-3-11-26-18/h2-12H,13H2,1H3,(H,23,25)(H3,21,22,24)
InChIKeyKAMSWSCXBWLNEZ-UHFFFAOYSA-N
XLogP3.77
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046750
N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110917647
N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111046737
N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111061602
N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]-2-methylbutanamide
CID 111052411
N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 111077664
N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111076639
N-[3-[[[amino-[(3,4-dimethoxyphenyl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046782
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024216
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111024215
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
N-[3-[[[amino-(cyclopropylamino)methylidene]amino]methyl]phenyl]-4-methylbenzamide
CID 51131529

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide (CID 111046763) is N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide is Cc1ccc(N/C(N)=N/Cc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is KAMSWSCXBWLNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-7-9-16(10-8-14)24-20(21)22-13-15-4-2-5-17(12-15)23-19(25)18-6-3-11-26-18/h2-12H,13H2,1H3,(H,23,25)(H3,21,22,24).
What are the key properties of N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 111046763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).