2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide

C16H26IN5O2 — CID 111073692

IUPAC2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide
SMILESC/N=C(\NCCN1CCOCC1)NCC(=O)Nc1ccccc1.I
InChIInChI=1S/C16H25N5O2.HI/c1-17-16(18-7-8-21-9-11-23-12-10-21)19-13-15(22)20-14-5-3-2-4-6-14;/h2-6H,7-13H2,1H3,(H,20,22)(H2,17,18,19);1H
InChIKeyIWUXFCKNLNYQCC-UHFFFAOYSA-N
MW447.32 g/mol
LogP0.74
Rot. Bonds6

About 2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide

2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide (PubChem CID 111073692) has the molecular formula C16H26IN5O2 and a molecular weight of 447.32 g/mol. Its IUPAC name is 2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide
PubChem CID111073692
Molecular FormulaC16H26IN5O2
Molecular Weight447.32 g/mol
Exact Mass447.11
IUPAC Name2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide
SMILESC/N=C(\NCCN1CCOCC1)NCC(=O)Nc1ccccc1.I
InChIInChI=1S/C16H25N5O2.HI/c1-17-16(18-7-8-21-9-11-23-12-10-21)19-13-15(22)20-14-5-3-2-4-6-14;/h2-6H,7-13H2,1H3,(H,20,22)(H2,17,18,19);1H
InChIKeyIWUXFCKNLNYQCC-UHFFFAOYSA-N
XLogP0.74
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-(3-ethynylphenyl)-2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]acetamide
CID 111073795
1-(3-anilinopropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111088199
2-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]-N-phenylacetamide
CID 111930245
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
CID 111022923
1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111823554
N-(3-fluorophenyl)-2-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]acetamide
CID 111416777
2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111179524
3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111074265
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263
2-methyl-1-(2-morpholin-4-ylethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]guanidine;hydroiodide
CID 111557273
2-[[N-ethyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]-N-phenylacetamide
CID 111375063
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111062892

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide?
The IUPAC name of 2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide (CID 111073692) is 2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide.
What is the SMILES notation for 2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide?
The canonical SMILES for 2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide is C/N=C(\NCCN1CCOCC1)NCC(=O)Nc1ccccc1.I.
What is the InChIKey of 2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide?
The InChIKey is IWUXFCKNLNYQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2.HI/c1-17-16(18-7-8-21-9-11-23-12-10-21)19-13-15(22)20-14-5-3-2-4-6-14;/h2-6H,7-13H2,1H3,(H,20,22)(H2,17,18,19);1H.
What are the key properties of 2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide?
2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide has a molecular weight of 447.32 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide is sourced from PubChem (CID 111073692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).