4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide

C24H35IN4O2 — CID 111560812

IUPAC4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCCOc1ccccc1C(C)C.I
InChIInChI=1S/C24H34N4O2.HI/c1-6-25-24(26-15-16-30-22-10-8-7-9-21(22)18(2)3)27-17-19-11-13-20(14-12-19)23(29)28(4)5;/h7-14,18H,6,15-17H2,1-5H3,(H2,25,26,27);1H
InChIKeyIAZPSFAZZGLGCU-UHFFFAOYSA-N
MW538.47 g/mol
LogP4.26
Rot. Bonds9

About 4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide

4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide (PubChem CID 111560812) has the molecular formula C24H35IN4O2 and a molecular weight of 538.47 g/mol. Its IUPAC name is 4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide.

Molecular Properties

Compound Name4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
PubChem CID111560812
Molecular FormulaC24H35IN4O2
Molecular Weight538.47 g/mol
Exact Mass538.18
IUPAC Name4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCCOc1ccccc1C(C)C.I
InChIInChI=1S/C24H34N4O2.HI/c1-6-25-24(26-15-16-30-22-10-8-7-9-21(22)18(2)3)27-17-19-11-13-20(14-12-19)23(29)28(4)5;/h7-14,18H,6,15-17H2,1-5H3,(H2,25,26,27);1H
InChIKeyIAZPSFAZZGLGCU-UHFFFAOYSA-N
XLogP4.26
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
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

4-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111875076
4-[[[(3,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111233753
4-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111340808
4-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111340809
4-[[[[3-(cyclopropylmethoxy)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111393112
4-[[[ethylamino-[(2-prop-2-enoxyphenyl)methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111555832
4-[[[[2-[di(propan-2-yl)amino]ethylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111247979
methyl 3-[[N'-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 111875112
4-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110950069
4-[[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111011280
4-[[[[3-[benzyl(methyl)amino]propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111875088
4-[[[N'-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111875387

Frequently Asked Questions

What is the IUPAC name of 4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The IUPAC name of 4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide (CID 111560812) is 4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide.
What is the SMILES notation for 4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The canonical SMILES for 4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide is CCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCCOc1ccccc1C(C)C.I.
What is the InChIKey of 4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The InChIKey is IAZPSFAZZGLGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2.HI/c1-6-25-24(26-15-16-30-22-10-8-7-9-21(22)18(2)3)27-17-19-11-13-20(14-12-19)23(29)28(4)5;/h7-14,18H,6,15-17H2,1-5H3,(H2,25,26,27);1H.
What are the key properties of 4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide has a molecular weight of 538.47 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[ethylamino-[2-(2-propan-2-ylphenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide is sourced from PubChem (CID 111560812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).