N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide

C21H29N3O2 — CID 47089802

IUPACN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C21H29N3O2/c1-3-23(4-2)20(25)15-24-13-12-17-14-18(10-11-19(17)24)22-21(26)16-8-6-5-7-9-16/h10-14,16H,3-9,15H2,1-2H3,(H,22,26)
InChIKeyWDZCHTKGRKQNQY-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.03
Rot. Bonds6

About N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide (PubChem CID 47089802) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
PubChem CID47089802
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C21H29N3O2/c1-3-23(4-2)20(25)15-24-13-12-17-14-18(10-11-19(17)24)22-21(26)16-8-6-5-7-9-16/h10-14,16H,3-9,15H2,1-2H3,(H,22,26)
InChIKeyWDZCHTKGRKQNQY-UHFFFAOYSA-N
XLogP4.03
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86874777
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide
CID 86900794
4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide
CID 86874780
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide
CID 86874773
3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079445
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide
CID 86889785
N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopropanecarboxamide
CID 155948618
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide
CID 86874806
(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634846

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide (CID 47089802) is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C3CCCCC3)ccc21.
What is the InChIKey of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide?
The InChIKey is WDZCHTKGRKQNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-23(4-2)20(25)15-24-13-12-17-14-18(10-11-19(17)24)22-21(26)16-8-6-5-7-9-16/h10-14,16H,3-9,15H2,1-2H3,(H,22,26).
What are the key properties of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide?
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide has a molecular weight of 355.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 47089802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).