N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide

C22H25N3O3 — CID 72684363

IUPACN'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide
SMILESCCn1c(-c2ccccc2)c(C(=O)CON=C(N)CCOC)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-3-25-18-12-8-7-11-17(18)21(22(25)16-9-5-4-6-10-16)19(26)15-28-24-20(23)13-14-27-2/h4-12H,3,13-15H2,1-2H3,(H2,23,24)
InChIKeyYPNXISKEZMEDCR-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.84
Rot. Bonds9

About N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide

N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide (PubChem CID 72684363) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide.

Molecular Properties

Compound NameN'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide
PubChem CID72684363
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide
SMILESCCn1c(-c2ccccc2)c(C(=O)CON=C(N)CCOC)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-3-25-18-12-8-7-11-17(18)21(22(25)16-9-5-4-6-10-16)19(26)15-28-24-20(23)13-14-27-2/h4-12H,3,13-15H2,1-2H3,(H2,23,24)
InChIKeyYPNXISKEZMEDCR-UHFFFAOYSA-N
XLogP3.84
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethyl-2-phenylindol-3-yl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 2108508
2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
CID 7539637
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 7259398
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 4836979
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 4837818
2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 87017632
(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone
CID 154139542
1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 2406607
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
CID 98409586
1-(1-ethyl-2-phenylindol-3-yl)-2-[10-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-4,7,13,16-tetraphenylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyn-1-yl]ethanone
CID 102102276
1-(1-ethyl-2-phenylindol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone
CID 8877422
1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 17441584

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide?
The IUPAC name of N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide (CID 72684363) is N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide.
What is the SMILES notation for N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide?
The canonical SMILES for N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide is CCn1c(-c2ccccc2)c(C(=O)CON=C(N)CCOC)c2ccccc21.
What is the InChIKey of N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide?
The InChIKey is YPNXISKEZMEDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-25-18-12-8-7-11-17(18)21(22(25)16-9-5-4-6-10-16)19(26)15-28-24-20(23)13-14-27-2/h4-12H,3,13-15H2,1-2H3,(H2,23,24).
What are the key properties of N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide?
N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide has a molecular weight of 379.46 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide is sourced from PubChem (CID 72684363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).