N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide

C14H24N4O3 — CID 111236399

IUPACN-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide
SMILESCCN/C(=N\CCNC(=O)c1ccco1)NC(C)COC
InChIInChI=1S/C14H24N4O3/c1-4-15-14(18-11(2)10-20-3)17-8-7-16-13(19)12-6-5-9-21-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyVJMFUQKKLIWELB-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.60
Rot. Bonds8

About N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide

N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide (PubChem CID 111236399) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide
PubChem CID111236399
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide
SMILESCCN/C(=N\CCNC(=O)c1ccco1)NC(C)COC
InChIInChI=1S/C14H24N4O3/c1-4-15-14(18-11(2)10-20-3)17-8-7-16-13(19)12-6-5-9-21-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyVJMFUQKKLIWELB-UHFFFAOYSA-N
XLogP0.60
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[ethylamino-(heptan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111195493
N-[2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 110999019
N-[2-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 110941120
N-[2-[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111235125
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111235368
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111237798
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111234908
N-[2-[[N-ethyl-N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110978304
N-[2-[[N-ethyl-N'-(4-methylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111943215
1-ethyl-3-(1-methoxypropan-2-yl)-2-(3-phenylpropyl)guanidine
CID 111237435
3-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111236542
N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 110958203

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide (CID 111236399) is N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide is CCN/C(=N\CCNC(=O)c1ccco1)NC(C)COC.
What is the InChIKey of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide?
The InChIKey is VJMFUQKKLIWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-15-14(18-11(2)10-20-3)17-8-7-16-13(19)12-6-5-9-21-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,16,19)(H2,15,17,18).
What are the key properties of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide?
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 111236399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).