N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide

C15H19N3O2 — CID 60958664

IUPACN-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-2-3-8-18(10-14(16)19)15(20)12-9-17-13-7-5-4-6-11(12)13/h4-7,9,17H,2-3,8,10H2,1H3,(H2,16,19)
InChIKeyJFVBQGMDPUZQIH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.90
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide

N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide (PubChem CID 60958664) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
PubChem CID60958664
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-2-3-8-18(10-14(16)19)15(20)12-9-17-13-7-5-4-6-11(12)13/h4-7,9,17H,2-3,8,10H2,1H3,(H2,16,19)
InChIKeyJFVBQGMDPUZQIH-UHFFFAOYSA-N
XLogP1.90
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
CID 63116764
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
CID 114344176
N-(2-amino-2-oxoethyl)-N-cyclopentyl-1H-indole-3-carboxamide
CID 60958792
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 60659716
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
CID 60659810
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
CID 60766751
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
CID 114371555
N-butyl-2-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4534995
2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 61021751

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide (CID 60958664) is N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide is CCCCN(CC(N)=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide?
The InChIKey is JFVBQGMDPUZQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-3-8-18(10-14(16)19)15(20)12-9-17-13-7-5-4-6-11(12)13/h4-7,9,17H,2-3,8,10H2,1H3,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide is sourced from PubChem (CID 60958664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).