N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide

C23H36N6O2 — CID 111786055

IUPACN,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
SMILESCc1cccc2c(CCN/C(=N/CC(=O)N(C)C)NCCCN3CCOCC3)c[nH]c12
InChIInChI=1S/C23H36N6O2/c1-18-6-4-7-20-19(16-26-22(18)20)8-10-25-23(27-17-21(30)28(2)3)24-9-5-11-29-12-14-31-15-13-29/h4,6-7,16,26H,5,8-15,17H2,1-3H3,(H2,24,25,27)
InChIKeyYNHWNMQPDUTRJB-UHFFFAOYSA-N
MW428.58 g/mol
LogP1.36
Rot. Bonds9

About N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide (PubChem CID 111786055) has the molecular formula C23H36N6O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
PubChem CID111786055
Molecular FormulaC23H36N6O2
Molecular Weight428.58 g/mol
Exact Mass428.29
IUPAC NameN,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
SMILESCc1cccc2c(CCN/C(=N/CC(=O)N(C)C)NCCCN3CCOCC3)c[nH]c12
InChIInChI=1S/C23H36N6O2/c1-18-6-4-7-20-19(16-26-22(18)20)8-10-25-23(27-17-21(30)28(2)3)24-9-5-11-29-12-14-31-15-13-29/h4,6-7,16,26H,5,8-15,17H2,1-3H3,(H2,24,25,27)
InChIKeyYNHWNMQPDUTRJB-UHFFFAOYSA-N
XLogP1.36
TPSA84.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 51.36
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-[[[2-(6-fluoro-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364225
2-[[[2-(5-fluoro-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111547780
2-[[[2-(3-fluorophenyl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365117
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide
CID 111351068
N,N-dimethyl-2-[[[(3-methyl-1-benzofuran-2-yl)methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111603896
1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111786304
2-[[[2-(1H-indol-2-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036343
2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047673
2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111161106
1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111784235
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 110995758
2-[[butylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365939

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide (CID 111786055) is N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide is Cc1cccc2c(CCN/C(=N/CC(=O)N(C)C)NCCCN3CCOCC3)c[nH]c12.
What is the InChIKey of N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
The InChIKey is YNHWNMQPDUTRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O2/c1-18-6-4-7-20-19(16-26-22(18)20)8-10-25-23(27-17-21(30)28(2)3)24-9-5-11-29-12-14-31-15-13-29/h4,6-7,16,26H,5,8-15,17H2,1-3H3,(H2,24,25,27).
What are the key properties of N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide has a molecular weight of 428.58 g/mol, XLogP of 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[2-(7-methyl-1H-indol-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111786055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).