2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide

C24H31N5O2 — CID 111537411

IUPAC2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(CCN/C(=N\CC(=O)N(C)C)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H31N5O2/c1-29(2)23(30)17-28-24(25-14-12-18-8-10-20(31-3)11-9-18)26-15-13-19-16-27-22-7-5-4-6-21(19)22/h4-11,16,27H,12-15,17H2,1-3H3,(H2,25,26,28)
InChIKeyROYDMEJQKYAVII-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.59
Rot. Bonds9

About 2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111537411) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111537411
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(CCN/C(=N\CC(=O)N(C)C)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H31N5O2/c1-29(2)23(30)17-28-24(25-14-12-18-8-10-20(31-3)11-9-18)26-15-13-19-16-27-22-7-5-4-6-21(19)22/h4-11,16,27H,12-15,17H2,1-3H3,(H2,25,26,28)
InChIKeyROYDMEJQKYAVII-UHFFFAOYSA-N
XLogP2.59
TPSA81.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110996329
2-[[[2-(4-methoxyphenyl)ethylamino]-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494788
2-[[[2-(4-methoxyphenyl)ethylamino]-(pentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111538212
2-[[[2-[(4-methoxyphenyl)methoxy]ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037046
2-[[(2-ethylbutylamino)-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111983847
2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036181
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113163074
2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111972446
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
2-[[[2-(4-methoxyphenyl)ethylamino]-[1-(2-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111542360
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
2-[[ethylamino-[2-(2-hydroxy-4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111785998

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (CID 111537411) is 2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is COc1ccc(CCN/C(=N\CC(=O)N(C)C)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is ROYDMEJQKYAVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-29(2)23(30)17-28-24(25-14-12-18-8-10-20(31-3)11-9-18)26-15-13-19-16-27-22-7-5-4-6-21(19)22/h4-11,16,27H,12-15,17H2,1-3H3,(H2,25,26,28).
What are the key properties of 2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 421.55 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111537411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).