N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide

C17H23IN4O2 — CID 111046750

IUPACN-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
SMILESCC(C)(C)N/C(N)=N/Cc1cccc(NC(=O)c2ccco2)c1.I
InChIInChI=1S/C17H22N4O2.HI/c1-17(2,3)21-16(18)19-11-12-6-4-7-13(10-12)20-15(22)14-8-5-9-23-14;/h4-10H,11H2,1-3H3,(H,20,22)(H3,18,19,21);1H
InChIKeyDBNMERHTFNTHRF-UHFFFAOYSA-N
MW442.30 g/mol
LogP3.35
Rot. Bonds4

About N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide

N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide (PubChem CID 111046750) has the molecular formula C17H23IN4O2 and a molecular weight of 442.30 g/mol. Its IUPAC name is N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
PubChem CID111046750
Molecular FormulaC17H23IN4O2
Molecular Weight442.30 g/mol
Exact Mass442.09
IUPAC NameN-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
SMILESCC(C)(C)N/C(N)=N/Cc1cccc(NC(=O)c2ccco2)c1.I
InChIInChI=1S/C17H22N4O2.HI/c1-17(2,3)21-16(18)19-11-12-6-4-7-13(10-12)20-15(22)14-8-5-9-23-14;/h4-10H,11H2,1-3H3,(H,20,22)(H3,18,19,21);1H
InChIKeyDBNMERHTFNTHRF-UHFFFAOYSA-N
XLogP3.35
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 53.35
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111046763
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111044874
N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111046737
N-[3-[[[amino-[(3,4-dimethoxyphenyl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046782
N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110917647
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042782
N-[3-[[[ethylamino(propylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111226100
N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046784
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111083043
N-[3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 109416851
3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058799
N-[3-[[[ethylamino(propylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111226101

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide (CID 111046750) is N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide is CC(C)(C)N/C(N)=N/Cc1cccc(NC(=O)c2ccco2)c1.I.
What is the InChIKey of N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide?
The InChIKey is DBNMERHTFNTHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.HI/c1-17(2,3)21-16(18)19-11-12-6-4-7-13(10-12)20-15(22)14-8-5-9-23-14;/h4-10H,11H2,1-3H3,(H,20,22)(H3,18,19,21);1H.
What are the key properties of N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide?
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide has a molecular weight of 442.30 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 111046750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).