2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

C11H17IN4O2 — CID 110914043

IUPAC2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESC=CCN/C(N)=N/CC(=O)NCc1ccco1.I
InChIInChI=1S/C11H16N4O2.HI/c1-2-5-13-11(12)15-8-10(16)14-7-9-4-3-6-17-9;/h2-4,6H,1,5,7-8H2,(H,14,16)(H3,12,13,15);1H
InChIKeyFXAOOPWRYGMPQJ-UHFFFAOYSA-N
MW364.19 g/mol
LogP0.60
Rot. Bonds6

About 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (PubChem CID 110914043) has the molecular formula C11H17IN4O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
PubChem CID110914043
Molecular FormulaC11H17IN4O2
Molecular Weight364.19 g/mol
Exact Mass364.04
IUPAC Name2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESC=CCN/C(N)=N/CC(=O)NCc1ccco1.I
InChIInChI=1S/C11H16N4O2.HI/c1-2-5-13-11(12)15-8-10(16)14-7-9-4-3-6-17-9;/h2-4,6H,1,5,7-8H2,(H,14,16)(H3,12,13,15);1H
InChIKeyFXAOOPWRYGMPQJ-UHFFFAOYSA-N
XLogP0.60
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 50.60
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]acetamide
CID 110982703
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111035913
(3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide
CID 16772157
2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111035911
3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 109011813
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035892
2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide
CID 111035912
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035936
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276164
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035918

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (CID 110914043) is 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is C=CCN/C(N)=N/CC(=O)NCc1ccco1.I.
What is the InChIKey of 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The InChIKey is FXAOOPWRYGMPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.HI/c1-2-5-13-11(12)15-8-10(16)14-7-9-4-3-6-17-9;/h2-4,6H,1,5,7-8H2,(H,14,16)(H3,12,13,15);1H.
What are the key properties of 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide has a molecular weight of 364.19 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is sourced from PubChem (CID 110914043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).