N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide

C11H23IN4O2 — CID 75532537

IUPACN-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESCOCC/N=C(\NCCNC(C)=O)NC1CC1.I
InChIInChI=1S/C11H22N4O2.HI/c1-9(16)12-5-6-13-11(14-7-8-17-2)15-10-3-4-10;/h10H,3-8H2,1-2H3,(H,12,16)(H2,13,14,15);1H
InChIKeyWKQCVBCEVYLMQE-UHFFFAOYSA-N
MW370.24 g/mol
LogP0.08
Rot. Bonds7

About N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide

N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide (PubChem CID 75532537) has the molecular formula C11H23IN4O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
PubChem CID75532537
Molecular FormulaC11H23IN4O2
Molecular Weight370.24 g/mol
Exact Mass370.09
IUPAC NameN-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESCOCC/N=C(\NCCNC(C)=O)NC1CC1.I
InChIInChI=1S/C11H22N4O2.HI/c1-9(16)12-5-6-13-11(14-7-8-17-2)15-10-3-4-10;/h10H,3-8H2,1-2H3,(H,12,16)(H2,13,14,15);1H
InChIKeyWKQCVBCEVYLMQE-UHFFFAOYSA-N
XLogP0.08
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 50.08
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'}

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Related Compounds

N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 111256916
1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110989253
N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide
CID 75532521
1-cyclohexyl-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110957347
3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide
CID 75532770
1-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111540717
2-cyclopentyl-N-[2-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110941327
N-[2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 111318903
1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110988571
3-[[N-cyclohexyl-N'-(3-methoxypropyl)carbamimidoyl]amino]-N-prop-2-ynylpropanamide;hydroiodide
CID 75532709
N-[2-[[N'-(4-ethoxybutyl)-N-ethylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111943872
methyl 4-[[N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 110055218

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The IUPAC name of N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide (CID 75532537) is N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide.
What is the SMILES notation for N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The canonical SMILES for N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide is COCC/N=C(\NCCNC(C)=O)NC1CC1.I.
What is the InChIKey of N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The InChIKey is WKQCVBCEVYLMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2.HI/c1-9(16)12-5-6-13-11(14-7-8-17-2)15-10-3-4-10;/h10H,3-8H2,1-2H3,(H,12,16)(H2,13,14,15);1H.
What are the key properties of N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide has a molecular weight of 370.24 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 75532537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).