N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide

C14H17N3O3 — CID 11380343

IUPACN-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide
SMILESCOc1ccc2c(c1)c(CCN(C)C(C)=O)cn2N=O
InChIInChI=1S/C14H17N3O3/c1-10(18)16(2)7-6-11-9-17(15-19)14-5-4-12(20-3)8-13(11)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyFKEZTXABVWCVKZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.20
Rot. Bonds5

About N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide

N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide (PubChem CID 11380343) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide
PubChem CID11380343
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide
SMILESCOc1ccc2c(c1)c(CCN(C)C(C)=O)cn2N=O
InChIInChI=1S/C14H17N3O3/c1-10(18)16(2)7-6-11-9-17(15-19)14-5-4-12(20-3)8-13(11)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyFKEZTXABVWCVKZ-UHFFFAOYSA-N
XLogP2.20
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide (CID 11380343) is N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide is COc1ccc2c(c1)c(CCN(C)C(C)=O)cn2N=O.
What is the InChIKey of N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide?
The InChIKey is FKEZTXABVWCVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(18)16(2)7-6-11-9-17(15-19)14-5-4-12(20-3)8-13(11)14/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide?
N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide has a molecular weight of 275.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-nitrosoindol-3-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 11380343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).