5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide

C21H30ClN3O3 — CID 163898210

IUPAC5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide
SMILESCCC(=O)NCCN1C(=O)C(CC)(CC)c2cc(Cl)c(C(=O)NC(C)C)cc21
InChIInChI=1S/C21H30ClN3O3/c1-6-18(26)23-9-10-25-17-11-14(19(27)24-13(4)5)16(22)12-15(17)21(7-2,8-3)20(25)28/h11-13H,6-10H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyQHNUDTASFJDQQA-UHFFFAOYSA-N
MW407.94 g/mol
LogP3.41
Rot. Bonds8

About 5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide

5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide (PubChem CID 163898210) has the molecular formula C21H30ClN3O3 and a molecular weight of 407.94 g/mol. Its IUPAC name is 5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide.

Molecular Properties

Compound Name5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide
PubChem CID163898210
Molecular FormulaC21H30ClN3O3
Molecular Weight407.94 g/mol
Exact Mass407.20
IUPAC Name5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide
SMILESCCC(=O)NCCN1C(=O)C(CC)(CC)c2cc(Cl)c(C(=O)NC(C)C)cc21
InChIInChI=1S/C21H30ClN3O3/c1-6-18(26)23-9-10-25-17-11-14(19(27)24-13(4)5)16(22)12-15(17)21(7-2,8-3)20(25)28/h11-13H,6-10H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyQHNUDTASFJDQQA-UHFFFAOYSA-N
XLogP3.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide
CID 147282484
tert-butyl (3R)-3-[[7-chloro-2-methyl-3-oxo-2-phenyl-4-[2-(propanoylamino)ethyl]-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 91526956
methyl 3,3-diethyl-2-oxo-1-[2-(phenylmethoxycarbonylamino)ethyl]indole-6-carboxylate
CID 67331335
N-butan-2-yl-N-cyclohexyl-2,2-dimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide
CID 71286345
tert-butyl (3R)-3-[[7-methyl-3-oxo-4-[2-(propanoylamino)ethyl]spiro[1,4-benzoxazine-2,1'-cyclobutane]-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 91220163
2,2,7-trimethyl-3-oxo-N-[(3R)-piperidin-3-yl]-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 51354478
6-chloro-5-(propan-2-ylcarbamoyl)-1-propylbenzimidazole-2-carboxylic acid
CID 112757027
tert-butyl (3R)-3-[[4-(2-aminoethyl)-2,2-difluoro-7-methyl-3-oxo-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2,2-difluoro-7-methyl-3-oxo-4-[2-(propanoylamino)ethyl]-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 159173182
methyl 4-[2-(methoxycarbonylamino)ethyl]-7-methyl-3-oxospiro[1,4-benzothiazine-2,1'-cyclopentane]-6-carboxylate
CID 58375830
(3R)-3-[cyclobutyl-[2,2-dimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carbonyl]amino]piperidine-1-carboxylic acid
CID 67332120
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
(2S)-N-cyclohexyl-2-(3,5-difluorophenyl)-2-methyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 158215039

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide?
The IUPAC name of 5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide (CID 163898210) is 5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide.
What is the SMILES notation for 5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide?
The canonical SMILES for 5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide is CCC(=O)NCCN1C(=O)C(CC)(CC)c2cc(Cl)c(C(=O)NC(C)C)cc21.
What is the InChIKey of 5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide?
The InChIKey is QHNUDTASFJDQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O3/c1-6-18(26)23-9-10-25-17-11-14(19(27)24-13(4)5)16(22)12-15(17)21(7-2,8-3)20(25)28/h11-13H,6-10H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of 5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide?
5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide has a molecular weight of 407.94 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,3-diethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-ylindole-6-carboxamide is sourced from PubChem (CID 163898210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).