N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide

C20H34N4O2 — CID 109483085

IUPACN-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
SMILESC=CCCCCCN(C)/C(=N/CCCNC(=O)c1occc1C)NCC
InChIInChI=1S/C20H34N4O2/c1-5-7-8-9-10-15-24(4)20(21-6-2)23-14-11-13-22-19(25)18-17(3)12-16-26-18/h5,12,16H,1,6-11,13-15H2,2-4H3,(H,21,23)(H,22,25)
InChIKeyDRJWIYMYWDMFMJ-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.35
Rot. Bonds12

About N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide

N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide (PubChem CID 109483085) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
PubChem CID109483085
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
SMILESC=CCCCCCN(C)/C(=N/CCCNC(=O)c1occc1C)NCC
InChIInChI=1S/C20H34N4O2/c1-5-7-8-9-10-15-24(4)20(21-6-2)23-14-11-13-22-19(25)18-17(3)12-16-26-18/h5,12,16H,1,6-11,13-15H2,2-4H3,(H,21,23)(H,22,25)
InChIKeyDRJWIYMYWDMFMJ-UHFFFAOYSA-N
XLogP3.35
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.35
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

N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]benzamide
CID 109498538
N-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 109496557
3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 109484122
N-[3-[[ethylamino-(3-methoxypropylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111770954
2-(3-ethoxypropyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109484295
N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817772
3-ethyl-2-[3-(methanesulfonamido)propyl]-1-methyl-1-pent-4-enylguanidine
CID 109496490
3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-1-hept-6-enyl-1-methylguanidine
CID 109484169
5-[[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]methyl]furan-2-carboxamide
CID 109484199
3-ethyl-2-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109497347
N-[3-[[ethylamino-(3-methylbutylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111771003
3-ethyl-1-hept-6-enyl-1-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 109483402

Frequently Asked Questions

What is the IUPAC name of N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide (CID 109483085) is N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide is C=CCCCCCN(C)/C(=N/CCCNC(=O)c1occc1C)NCC.
What is the InChIKey of N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
The InChIKey is DRJWIYMYWDMFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-5-7-8-9-10-15-24(4)20(21-6-2)23-14-11-13-22-19(25)18-17(3)12-16-26-18/h5,12,16H,1,6-11,13-15H2,2-4H3,(H,21,23)(H,22,25).
What are the key properties of N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide?
N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 3.35, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 109483085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).