2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C25H37IN4O3 — CID 111670931

IUPAC2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOc1ccc(CCN/C(=N/CC(=O)N(C)C)NCC(C)COCc2ccccc2)cc1.I
InChIInChI=1S/C25H36N4O3.HI/c1-20(18-32-19-22-8-6-5-7-9-22)16-27-25(28-17-24(30)29(2)3)26-15-14-21-10-12-23(31-4)13-11-21;/h5-13,20H,14-19H2,1-4H3,(H2,26,27,28);1H
InChIKeyFMTACPXVLRWHEK-UHFFFAOYSA-N
MW568.50 g/mol
LogP3.33
Rot. Bonds12

About 2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111670931) has the molecular formula C25H37IN4O3 and a molecular weight of 568.50 g/mol. Its IUPAC name is 2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111670931
Molecular FormulaC25H37IN4O3
Molecular Weight568.50 g/mol
Exact Mass568.19
IUPAC Name2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOc1ccc(CCN/C(=N/CC(=O)N(C)C)NCC(C)COCc2ccccc2)cc1.I
InChIInChI=1S/C25H36N4O3.HI/c1-20(18-32-19-22-8-6-5-7-9-22)16-27-25(28-17-24(30)29(2)3)26-15-14-21-10-12-23(31-4)13-11-21;/h5-13,20H,14-19H2,1-4H3,(H2,26,27,28);1H
InChIKeyFMTACPXVLRWHEK-UHFFFAOYSA-N
XLogP3.33
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
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

2-[[[2-[(4-methoxyphenyl)methoxy]ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037046
N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 111777508
2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111907559
2-[[(2-ethylbutylamino)-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111983847
2-[[[2-(4-methoxyphenyl)ethylamino]-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494788
N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(1-phenylethylamino)methylidene]amino]acetamide
CID 111545769
2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111545171
2-[[[2-(4-methoxyphenyl)ethylamino]-(pentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111538212
2-[[[2-(furan-2-yl)ethylamino]-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110050908
2-[[(2-ethoxyethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751604
2-[[[2-(4-methoxyphenyl)ethylamino]-[1-(2-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111542360
2-[[[[3-(4-methoxyphenyl)-2-methylpropyl]amino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035540

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111670931) is 2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is COc1ccc(CCN/C(=N/CC(=O)N(C)C)NCC(C)COCc2ccccc2)cc1.I.
What is the InChIKey of 2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is FMTACPXVLRWHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3.HI/c1-20(18-32-19-22-8-6-5-7-9-22)16-27-25(28-17-24(30)29(2)3)26-15-14-21-10-12-23(31-4)13-11-21;/h5-13,20H,14-19H2,1-4H3,(H2,26,27,28);1H.
What are the key properties of 2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 568.50 g/mol, XLogP of 3.33, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111670931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).