N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide

C16H21N3O2 — CID 60659810

IUPACN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-4-19(10-15(20)18-11(2)3)16(21)13-9-17-14-8-6-5-7-12(13)14/h5-9,11,17H,4,10H2,1-3H3,(H,18,20)
InChIKeyIFFRKDKGTIOUCO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide

N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide (PubChem CID 60659810) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
PubChem CID60659810
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-4-19(10-15(20)18-11(2)3)16(21)13-9-17-14-8-6-5-7-12(13)14/h5-9,11,17H,4,10H2,1-3H3,(H,18,20)
InChIKeyIFFRKDKGTIOUCO-UHFFFAOYSA-N
XLogP2.15
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18155625
2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 61021751
N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 24529352
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913527
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 60659716
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-ethyl-N-(4-fluorophenyl)-1H-indole-3-carboxamide
CID 60661185
N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
CID 60958664
2-amino-3-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 115540404
3-bromo-N-ethyl-2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 106544231

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide (CID 60659810) is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide?
The InChIKey is IFFRKDKGTIOUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(10-15(20)18-11(2)3)16(21)13-9-17-14-8-6-5-7-12(13)14/h5-9,11,17H,4,10H2,1-3H3,(H,18,20).
What are the key properties of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide?
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 60659810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).