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

C18H24N4O2 — CID 111046737

IUPACN-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
SMILESCC(C)CCN/C(N)=N/Cc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H24N4O2/c1-13(2)8-9-20-18(19)21-12-14-5-3-6-15(11-14)22-17(23)16-7-4-10-24-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,22,23)(H3,19,20,21)
InChIKeyIMGFHOGMKMEJKT-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.98
Rot. Bonds7

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

N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 111046737) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID111046737
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
SMILESCC(C)CCN/C(N)=N/Cc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H24N4O2/c1-13(2)8-9-20-18(19)21-12-14-5-3-6-15(11-14)22-17(23)16-7-4-10-24-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,22,23)(H3,19,20,21)
InChIKeyIMGFHOGMKMEJKT-UHFFFAOYSA-N
XLogP2.98
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.98
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-[3-[[[ethylamino-(4-methylpentylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111943223
N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111046763
N-[3-[[[amino-[(3,4-dimethoxyphenyl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046782
N-[3-[[[ethylamino-(4-methylpentylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111943222
N-[3-[[[ethylamino-(propan-2-ylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111123845
N-[3-[[[ethylamino(propylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111226101
N-[3-[[[ethylamino(propylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111226100
1-(3-methylbutyl)-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046250
N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046784
N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044869
N-[4-[[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111040354

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide (CID 111046737) is N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide is CC(C)CCN/C(N)=N/Cc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is IMGFHOGMKMEJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)8-9-20-18(19)21-12-14-5-3-6-15(11-14)22-17(23)16-7-4-10-24-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,22,23)(H3,19,20,21).
What are the key properties of N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 111046737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).