5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide

C15H24N4O2 — CID 109498764

IUPAC5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide
SMILESC=CCCCN(C)/C(=N/Cc1ccc(C(N)=O)o1)NCC
InChIInChI=1S/C15H24N4O2/c1-4-6-7-10-19(3)15(17-5-2)18-11-12-8-9-13(21-12)14(16)20/h4,8-9H,1,5-7,10-11H2,2-3H3,(H2,16,20)(H,17,18)
InChIKeyDNHHMBPJKZRHRE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.74
Rot. Bonds8

About 5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide

5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide (PubChem CID 109498764) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide
PubChem CID109498764
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide
SMILESC=CCCCN(C)/C(=N/Cc1ccc(C(N)=O)o1)NCC
InChIInChI=1S/C15H24N4O2/c1-4-6-7-10-19(3)15(17-5-2)18-11-12-8-9-13(21-12)14(16)20/h4,8-9H,1,5-7,10-11H2,2-3H3,(H2,16,20)(H,17,18)
InChIKeyDNHHMBPJKZRHRE-UHFFFAOYSA-N
XLogP1.74
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]methyl]furan-2-carboxamide
CID 109484199
5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 111908039
N,N-diethyl-4-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]benzamide
CID 109499256
5-[[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]methyl]furan-2-carboxamide
CID 109483995
2-[[4-(dimethylamino)phenyl]methyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109499027
3-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-methyl-1-pent-4-enylguanidine
CID 109498280
methyl 4-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 109497423
3-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109496955
3-ethyl-1-methyl-2-[[3-(methylsulfamoylmethyl)phenyl]methyl]-1-pent-4-enylguanidine;hydroiodide
CID 109496509
N-[4-[2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]ethyl]phenyl]acetamide
CID 109498912
N-tert-butyl-3-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]benzamide
CID 109498150
2-[4-[2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 109497434

Frequently Asked Questions

What is the IUPAC name of 5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide (CID 109498764) is 5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide is C=CCCCN(C)/C(=N/Cc1ccc(C(N)=O)o1)NCC.
What is the InChIKey of 5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide?
The InChIKey is DNHHMBPJKZRHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-6-7-10-19(3)15(17-5-2)18-11-12-8-9-13(21-12)14(16)20/h4,8-9H,1,5-7,10-11H2,2-3H3,(H2,16,20)(H,17,18).
What are the key properties of 5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide?
5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 109498764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).