2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide

C15H25IN4O — CID 110949645

IUPAC2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)CN/C(=N\C)NC(C)c1ccccc1.I
InChIInChI=1S/C15H24N4O.HI/c1-4-10-17-14(20)11-18-15(16-3)19-12(2)13-8-6-5-7-9-13;/h5-9,12H,4,10-11H2,1-3H3,(H,17,20)(H2,16,18,19);1H
InChIKeyFOEJKXOLNAJJHL-UHFFFAOYSA-N
MW404.30 g/mol
LogP2.06
Rot. Bonds6

About 2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide

2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide (PubChem CID 110949645) has the molecular formula C15H25IN4O and a molecular weight of 404.30 g/mol. Its IUPAC name is 2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide
PubChem CID110949645
Molecular FormulaC15H25IN4O
Molecular Weight404.30 g/mol
Exact Mass404.11
IUPAC Name2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)CN/C(=N\C)NC(C)c1ccccc1.I
InChIInChI=1S/C15H24N4O.HI/c1-4-10-17-14(20)11-18-15(16-3)19-12(2)13-8-6-5-7-9-13;/h5-9,12H,4,10-11H2,1-3H3,(H,17,20)(H2,16,18,19);1H
InChIKeyFOEJKXOLNAJJHL-UHFFFAOYSA-N
XLogP2.06
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
2-[(N'-methyl-N-propylcarbamimidoyl)amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111226914
1-hexyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948974
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110948847
2-cyclopentyl-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110949235
N-(3-fluorophenyl)-2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]acetamide
CID 110948718
2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide
CID 111195279
N-(2-methoxyethyl)-2-[[N'-methyl-N-(1-naphthalen-2-ylethyl)carbamimidoyl]amino]acetamide
CID 111321782
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 47205693
2-methyl-1-[2-(3-methylbutoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950157

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide?
The IUPAC name of 2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide (CID 110949645) is 2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide.
What is the SMILES notation for 2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide?
The canonical SMILES for 2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide is CCCNC(=O)CN/C(=N\C)NC(C)c1ccccc1.I.
What is the InChIKey of 2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide?
The InChIKey is FOEJKXOLNAJJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.HI/c1-4-10-17-14(20)11-18-15(16-3)19-12(2)13-8-6-5-7-9-13;/h5-9,12H,4,10-11H2,1-3H3,(H,17,20)(H2,16,18,19);1H.
What are the key properties of 2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide?
2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide has a molecular weight of 404.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide is sourced from PubChem (CID 110949645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).