6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide

C23H27N3O3 — CID 55655686

IUPAC6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)c1
InChIInChI=1S/C23H27N3O3/c1-5-24-21(27)14-29-18-8-6-7-17(13-18)25-22(28)20-11-15-9-10-16(23(2,3)4)12-19(15)26-20/h6-13,26H,5,14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyJPQDSWIUIBCNCY-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.23
Rot. Bonds6

About 6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide

6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide (PubChem CID 55655686) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide
PubChem CID55655686
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)c1
InChIInChI=1S/C23H27N3O3/c1-5-24-21(27)14-29-18-8-6-7-17(13-18)25-22(28)20-11-15-9-10-16(23(2,3)4)12-19(15)26-20/h6-13,26H,5,14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyJPQDSWIUIBCNCY-UHFFFAOYSA-N
XLogP4.23
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 39042630
2-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenoxy]-N-ethylacetamide
CID 34870464
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 34875961
N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207365
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 60552543
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 39040258
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
CID 39044484
3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
CID 46461277

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide (CID 55655686) is 6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide is CCNC(=O)COc1cccc(NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)c1.
What is the InChIKey of 6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide?
The InChIKey is JPQDSWIUIBCNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-24-21(27)14-29-18-8-6-7-17(13-18)25-22(28)20-11-15-9-10-16(23(2,3)4)12-19(15)26-20/h6-13,26H,5,14H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide?
6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55655686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).