N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide

C15H21N3O2 — CID 145368155

IUPACN-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide
SMILESCCN(CCc1c[nH]c2ccccc12)C(=O)CNOC
InChIInChI=1S/C15H21N3O2/c1-3-18(15(19)11-17-20-2)9-8-12-10-16-14-7-5-4-6-13(12)14/h4-7,10,16-17H,3,8-9,11H2,1-2H3
InChIKeyUDXSNPZUDKIVBJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.71
Rot. Bonds7

About N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide

N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide (PubChem CID 145368155) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide
PubChem CID145368155
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide
SMILESCCN(CCc1c[nH]c2ccccc12)C(=O)CNOC
InChIInChI=1S/C15H21N3O2/c1-3-18(15(19)11-17-20-2)9-8-12-10-16-14-7-5-4-6-13(12)14/h4-7,10,16-17H,3,8-9,11H2,1-2H3
InChIKeyUDXSNPZUDKIVBJ-UHFFFAOYSA-N
XLogP1.71
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate
CID 23336475
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
CID 113121765
N-[2-(1H-indol-3-yl)ethyl]-N-methoxypropan-1-amine
CID 175843583
N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 26355956
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)propanamide
CID 79380294
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
CID 60961087
1-(2-chloroethyl)-1-[2-(1H-indol-3-yl)ethyl]-3-nitrosourea
CID 24847497

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide?
The IUPAC name of N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide (CID 145368155) is N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide.
What is the SMILES notation for N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide?
The canonical SMILES for N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide is CCN(CCc1c[nH]c2ccccc12)C(=O)CNOC.
What is the InChIKey of N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide?
The InChIKey is UDXSNPZUDKIVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-18(15(19)11-17-20-2)9-8-12-10-16-14-7-5-4-6-13(12)14/h4-7,10,16-17H,3,8-9,11H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide?
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide is sourced from PubChem (CID 145368155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).