N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C18H25N3O2 — CID 7117696

IUPACN-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCN(C)CCNC(=O)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C18H25N3O2/c1-4-5-11-21(3)12-10-19-18(23)17(22)16-13(2)20-15-9-7-6-8-14(15)16/h6-9,20H,4-5,10-12H2,1-3H3,(H,19,23)
InChIKeyNXMNNHKMNMBKIA-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.51
Rot. Bonds8

About N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 7117696) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID7117696
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCN(C)CCNC(=O)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C18H25N3O2/c1-4-5-11-21(3)12-10-19-18(23)17(22)16-13(2)20-15-9-7-6-8-14(15)16/h6-9,20H,4-5,10-12H2,1-3H3,(H,19,23)
InChIKeyNXMNNHKMNMBKIA-UHFFFAOYSA-N
XLogP2.51
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 7117696) is N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is CCCCN(C)CCNC(=O)C(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is NXMNNHKMNMBKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-5-11-21(3)12-10-19-18(23)17(22)16-13(2)20-15-9-7-6-8-14(15)16/h6-9,20H,4-5,10-12H2,1-3H3,(H,19,23).
What are the key properties of N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 315.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methyl)amino]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 7117696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).