2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

C17H30IN5O3 — CID 111010318

IUPAC2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)N(C)CC(=O)N(CC)CC.I
InChIInChI=1S/C17H29N5O3.HI/c1-5-18-17(21(4)13-16(24)22(6-2)7-3)20-12-15(23)19-11-14-9-8-10-25-14;/h8-10H,5-7,11-13H2,1-4H3,(H,18,20)(H,19,23);1H
InChIKeyYRRXAUDCPCHICH-UHFFFAOYSA-N
MW479.36 g/mol
LogP1.28
Rot. Bonds9

About 2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (PubChem CID 111010318) has the molecular formula C17H30IN5O3 and a molecular weight of 479.36 g/mol. Its IUPAC name is 2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
PubChem CID111010318
Molecular FormulaC17H30IN5O3
Molecular Weight479.36 g/mol
Exact Mass479.14
IUPAC Name2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)N(C)CC(=O)N(CC)CC.I
InChIInChI=1S/C17H29N5O3.HI/c1-5-18-17(21(4)13-16(24)22(6-2)7-3)20-12-15(23)19-11-14-9-8-10-25-14;/h8-10H,5-7,11-13H2,1-4H3,(H,18,20)(H,19,23);1H
InChIKeyYRRXAUDCPCHICH-UHFFFAOYSA-N
XLogP1.28
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)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

2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111275303
2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111035911
N-benzyl-2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111009368
2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide
CID 111035912
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
N-[3-[[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111010263
N,N-diethyl-2-[[N-ethyl-N'-(thiophen-2-ylmethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009698
2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111009891
N,N-diethyl-2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009938
N,N-diethyl-2-[[N-ethyl-N'-(isoquinolin-1-ylmethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009600
N,N-diethyl-2-[[N-ethyl-N'-[(3-fluorophenyl)methyl]carbamimidoyl]-methylamino]acetamide
CID 111010475
2-[[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 110053281

Frequently Asked Questions

What is the IUPAC name of 2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (CID 111010318) is 2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)NCc1ccco1)N(C)CC(=O)N(CC)CC.I.
What is the InChIKey of 2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The InChIKey is YRRXAUDCPCHICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3.HI/c1-5-18-17(21(4)13-16(24)22(6-2)7-3)20-12-15(23)19-11-14-9-8-10-25-14;/h8-10H,5-7,11-13H2,1-4H3,(H,18,20)(H,19,23);1H.
What are the key properties of 2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide has a molecular weight of 479.36 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is sourced from PubChem (CID 111010318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).