N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide

C20H33IN4O — CID 111928403

IUPACN-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1cccc(C)c1)NCCNC(=O)C1CC1.I
InChIInChI=1S/C20H32N4O.HI/c1-5-21-19(23-12-11-22-18(25)16-9-10-16)24-14-20(3,4)17-8-6-7-15(2)13-17;/h6-8,13,16H,5,9-12,14H2,1-4H3,(H,22,25)(H2,21,23,24);1H
InChIKeyKXGOCMDKZPBCPJ-UHFFFAOYSA-N
MW472.42 g/mol
LogP2.97
Rot. Bonds8

About N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide

N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide (PubChem CID 111928403) has the molecular formula C20H33IN4O and a molecular weight of 472.42 g/mol. Its IUPAC name is N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
PubChem CID111928403
Molecular FormulaC20H33IN4O
Molecular Weight472.42 g/mol
Exact Mass472.17
IUPAC NameN-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1cccc(C)c1)NCCNC(=O)C1CC1.I
InChIInChI=1S/C20H32N4O.HI/c1-5-21-19(23-12-11-22-18(25)16-9-10-16)24-14-20(3,4)17-8-6-7-15(2)13-17;/h6-8,13,16H,5,9-12,14H2,1-4H3,(H,22,25)(H2,21,23,24);1H
InChIKeyKXGOCMDKZPBCPJ-UHFFFAOYSA-N
XLogP2.97
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;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

1-ethyl-2-[2-methyl-2-(3-methylphenyl)propyl]-3-prop-2-ynylguanidine;hydroiodide
CID 111848932
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111671557
N-[2-[[N'-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111569215
1-ethyl-2-[2-methyl-2-(3-methylphenyl)propyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111146705
N-[2-[[N-ethyl-N'-(2-hydroxy-2-thiophen-3-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111654458
N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111366809
1-ethyl-2-(2-methyl-2-phenylpropyl)-3-propylguanidine;hydroiodide
CID 111225902
N-[2-[[N-ethyl-N'-[(4-methylphenyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111244479
N-[2-[[N-ethyl-N'-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927427
N-cyclopropyl-4-[[N-ethyl-N'-(2-methyl-2-phenylpropyl)carbamimidoyl]amino]butanamide;hydroiodide
CID 111948068
N-[2-[[N'-[2-(2,6-dichlorophenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927507
N-[2-[[N-ethyl-N'-[3-(4-methylphenoxy)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111928149

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The IUPAC name of N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide (CID 111928403) is N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The canonical SMILES for N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide is CCN/C(=N\CC(C)(C)c1cccc(C)c1)NCCNC(=O)C1CC1.I.
What is the InChIKey of N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The InChIKey is KXGOCMDKZPBCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.HI/c1-5-21-19(23-12-11-22-18(25)16-9-10-16)24-14-20(3,4)17-8-6-7-15(2)13-17;/h6-8,13,16H,5,9-12,14H2,1-4H3,(H,22,25)(H2,21,23,24);1H.
What are the key properties of N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide has a molecular weight of 472.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide is sourced from PubChem (CID 111928403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).