N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide

C16H26N4O2 — CID 110958203

IUPACN-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
SMILESCCN/C(=N\CCNC(=O)c1ccco1)NC1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-2-17-16(20-13-7-4-3-5-8-13)19-11-10-18-15(21)14-9-6-12-22-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,18,21)(H2,17,19,20)
InChIKeyQEFDHXFTZALONG-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide

N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide (PubChem CID 110958203) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
PubChem CID110958203
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
SMILESCCN/C(=N\CCNC(=O)c1ccco1)NC1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-2-17-16(20-13-7-4-3-5-8-13)19-11-10-18-15(21)14-9-6-12-22-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,18,21)(H2,17,19,20)
InChIKeyQEFDHXFTZALONG-UHFFFAOYSA-N
XLogP1.90
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.90
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110991324
N-[2-[[[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111922620
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 110992709
N-[2-[[1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109441838
N-[4-[[[(cyclopropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110988092
N-[2-[[[[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111917467
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110988293
N-[2-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 110941120
N-[2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111867575
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111236399
N-[2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111195493

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide (CID 110958203) is N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide is CCN/C(=N\CCNC(=O)c1ccco1)NC1CCCCC1.
What is the InChIKey of N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide?
The InChIKey is QEFDHXFTZALONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-17-16(20-13-7-4-3-5-8-13)19-11-10-18-15(21)14-9-6-12-22-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,18,21)(H2,17,19,20).
What are the key properties of N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide?
N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 110958203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).