2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

C20H29IN4O2 — CID 111321843

IUPAC2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCCOC)NC(C)c1ccc2ccccc2c1.I
InChIInChI=1S/C20H28N4O2.HI/c1-4-21-20(23-14-19(25)22-11-12-26-3)24-15(2)17-10-9-16-7-5-6-8-18(16)13-17;/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,22,25)(H2,21,23,24);1H
InChIKeyPHGQZQUVXZJIHR-UHFFFAOYSA-N
MW484.38 g/mol
LogP2.84
Rot. Bonds8

About 2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (PubChem CID 111321843) has the molecular formula C20H29IN4O2 and a molecular weight of 484.38 g/mol. Its IUPAC name is 2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
PubChem CID111321843
Molecular FormulaC20H29IN4O2
Molecular Weight484.38 g/mol
Exact Mass484.13
IUPAC Name2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCCOC)NC(C)c1ccc2ccccc2c1.I
InChIInChI=1S/C20H28N4O2.HI/c1-4-21-20(23-14-19(25)22-11-12-26-3)24-15(2)17-10-9-16-7-5-6-8-18(16)13-17;/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,22,25)(H2,21,23,24);1H
InChIKeyPHGQZQUVXZJIHR-UHFFFAOYSA-N
XLogP2.84
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 52.84
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)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-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111371692
N-(2-methoxyethyl)-2-[[N'-methyl-N-(1-naphthalen-2-ylethyl)carbamimidoyl]amino]acetamide
CID 111321782
2-[[[1-(2-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111319516
2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111366520
2-[[[1-(2,5-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111378364
2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111641538
2-[[ethylamino-(1-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 110948233
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine;hydroiodide
CID 111321783
2-(2-methoxyethoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 43022550
2-[[ethylamino-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 109493774
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine
CID 111321784

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (CID 111321843) is 2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)NCCOC)NC(C)c1ccc2ccccc2c1.I.
What is the InChIKey of 2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The InChIKey is PHGQZQUVXZJIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.HI/c1-4-21-20(23-14-19(25)22-11-12-26-3)24-15(2)17-10-9-16-7-5-6-8-18(16)13-17;/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,22,25)(H2,21,23,24);1H.
What are the key properties of 2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide has a molecular weight of 484.38 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is sourced from PubChem (CID 111321843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).