N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide

C16H20N2O2 — CID 802955

IUPACN,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(C)c(C=O)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-4-17(5-2)16(20)10-18-12(3)14(11-19)13-8-6-7-9-15(13)18/h6-9,11H,4-5,10H2,1-3H3
InChIKeyGPVKGJPWAXSITP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.63
Rot. Bonds5

About N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide

N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide (PubChem CID 802955) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide
PubChem CID802955
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(C)c(C=O)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-4-17(5-2)16(20)10-18-12(3)14(11-19)13-8-6-7-9-15(13)18/h6-9,11H,4-5,10H2,1-3H3
InChIKeyGPVKGJPWAXSITP-UHFFFAOYSA-N
XLogP2.63
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide (CID 802955) is N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide is CCN(CC)C(=O)Cn1c(C)c(C=O)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide?
The InChIKey is GPVKGJPWAXSITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-17(5-2)16(20)10-18-12(3)14(11-19)13-8-6-7-9-15(13)18/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide?
N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide is sourced from PubChem (CID 802955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).