N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide

C24H31N3O3 — CID 177193533

IUPACN-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCNCc1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C24H31N3O3/c1-20(28)26-12-15-30-17-16-29-14-11-25-18-22-8-5-9-24-23(22)10-13-27(24)19-21-6-3-2-4-7-21/h2-10,13,25H,11-12,14-19H2,1H3,(H,26,28)
InChIKeyQGYCJFFDJLQEEP-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.95
Rot. Bonds13

About N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide

N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 177193533) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide
PubChem CID177193533
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCNCc1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C24H31N3O3/c1-20(28)26-12-15-30-17-16-29-14-11-25-18-22-8-5-9-24-23(22)10-13-27(24)19-21-6-3-2-4-7-21/h2-10,13,25H,11-12,14-19H2,1H3,(H,26,28)
InChIKeyQGYCJFFDJLQEEP-UHFFFAOYSA-N
XLogP2.95
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide
CID 176845587
N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide
CID 176845405
2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol
CID 124786059
2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol
CID 176845459
2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol
CID 176845640
2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine
CID 65364901
2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
CID 106455254
methyl 3-[2-[2-[[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]methylamino]ethoxy]ethoxy]propanoate
CID 176845528
1-benzylindole-4-carbohydrazide
CID 154701001
2-acetamidoethyl 2-phenylacetate
CID 139889118
tert-butyl 3-[2-[2-[[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]methylamino]ethoxy]ethoxy]propanoate
CID 176845472
N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine
CID 79186431

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide (CID 177193533) is N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide is CC(=O)NCCOCCOCCNCc1cccc2c1ccn2Cc1ccccc1.
What is the InChIKey of N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is QGYCJFFDJLQEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-20(28)26-12-15-30-17-16-29-14-11-25-18-22-8-5-9-24-23(22)10-13-27(24)19-21-6-3-2-4-7-21/h2-10,13,25H,11-12,14-19H2,1H3,(H,26,28).
What are the key properties of N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide?
N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.95, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 177193533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).