N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide

C14H21IN4O — CID 120970750

IUPACN-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide
SMILESCCc1cccc(NC(=O)CNC2=NCCN2C)c1.I
InChIInChI=1S/C14H20N4O.HI/c1-3-11-5-4-6-12(9-11)17-13(19)10-16-14-15-7-8-18(14)2;/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)(H,17,19);1H
InChIKeyIBTVOZVNURXWJY-UHFFFAOYSA-N
MW388.25 g/mol
LogP1.70
Rot. Bonds4

About N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide

N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide (PubChem CID 120970750) has the molecular formula C14H21IN4O and a molecular weight of 388.25 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide
PubChem CID120970750
Molecular FormulaC14H21IN4O
Molecular Weight388.25 g/mol
Exact Mass388.08
IUPAC NameN-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide
SMILESCCc1cccc(NC(=O)CNC2=NCCN2C)c1.I
InChIInChI=1S/C14H20N4O.HI/c1-3-11-5-4-6-12(9-11)17-13(19)10-16-14-15-7-8-18(14)2;/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)(H,17,19);1H
InChIKeyIBTVOZVNURXWJY-UHFFFAOYSA-N
XLogP1.70
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
CID 112799800
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695322
N-(3-ethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895363
2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543572
N-(3-ethylphenyl)-2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 111219946
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate
CID 120972587
2-(3-aminophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 79134495

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide?
The IUPAC name of N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide (CID 120970750) is N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide?
The canonical SMILES for N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide is CCc1cccc(NC(=O)CNC2=NCCN2C)c1.I.
What is the InChIKey of N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide?
The InChIKey is IBTVOZVNURXWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.HI/c1-3-11-5-4-6-12(9-11)17-13(19)10-16-14-15-7-8-18(14)2;/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)(H,17,19);1H.
What are the key properties of N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide?
N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide has a molecular weight of 388.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide is sourced from PubChem (CID 120970750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).