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

C19H29N5O3 — CID 110036181

IUPAC2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOCCN/C(=N\CC(=O)N(C)C)NCCc1c[nH]c2cccc(OC)c12
InChIInChI=1S/C19H29N5O3/c1-24(2)17(25)13-23-19(21-10-11-26-3)20-9-8-14-12-22-15-6-5-7-16(27-4)18(14)15/h5-7,12,22H,8-11,13H2,1-4H3,(H2,20,21,23)
InChIKeyWNFVWUUJXZOZIK-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.99
Rot. Bonds9

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

2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110036181) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110036181
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOCCN/C(=N\CC(=O)N(C)C)NCCc1c[nH]c2cccc(OC)c12
InChIInChI=1S/C19H29N5O3/c1-24(2)17(25)13-23-19(21-10-11-26-3)20-9-8-14-12-22-15-6-5-7-16(27-4)18(14)15/h5-7,12,22H,8-11,13H2,1-4H3,(H2,20,21,23)
InChIKeyWNFVWUUJXZOZIK-UHFFFAOYSA-N
XLogP0.99
TPSA90.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[[(3-ethoxypropylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034206
2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110050653
2-[[N'-benzyl-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110033733
2-[[butylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365939
N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide
CID 111862975
2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111907587
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111537411
2-[[[2-(4-fluoro-2-methylphenyl)ethylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110044963
2-[[(2-methoxyethylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491566
3-[2-(4-methoxy-1H-indol-3-yl)ethyl]-1-methyl-1-(thiolan-3-yl)urea
CID 84597587
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013288

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (CID 110036181) is 2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is COCCN/C(=N\CC(=O)N(C)C)NCCc1c[nH]c2cccc(OC)c12.
What is the InChIKey of 2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is WNFVWUUJXZOZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-24(2)17(25)13-23-19(21-10-11-26-3)20-9-8-14-12-22-15-6-5-7-16(27-4)18(14)15/h5-7,12,22H,8-11,13H2,1-4H3,(H2,20,21,23).
What are the key properties of 2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 375.47 g/mol, XLogP of 0.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110036181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).