N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide

C20H27N3O2 — CID 146125832

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide
SMILESCCN(CC(=O)N1CCCCCC1)C(=O)c1cc2ccc(C)cc2[nH]1
InChIInChI=1S/C20H27N3O2/c1-3-22(14-19(24)23-10-6-4-5-7-11-23)20(25)18-13-16-9-8-15(2)12-17(16)21-18/h8-9,12-13,21H,3-7,10-11,14H2,1-2H3
InChIKeyOATNQZPKJJQFOE-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.34
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide (PubChem CID 146125832) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide
PubChem CID146125832
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide
SMILESCCN(CC(=O)N1CCCCCC1)C(=O)c1cc2ccc(C)cc2[nH]1
InChIInChI=1S/C20H27N3O2/c1-3-22(14-19(24)23-10-6-4-5-7-11-23)20(25)18-13-16-9-8-15(2)12-17(16)21-18/h8-9,12-13,21H,3-7,10-11,14H2,1-2H3
InChIKeyOATNQZPKJJQFOE-UHFFFAOYSA-N
XLogP3.34
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 119205851
1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 55559402
N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide
CID 39949319
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-1H-indole-2-carboxamide
CID 134002686
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 140931168
2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 86934178
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126798041
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 138999191
2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
CID 86906131
N-(2-amino-2-oxoethyl)-N-ethyl-1H-indole-2-carboxamide
CID 103103798

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide (CID 146125832) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide is CCN(CC(=O)N1CCCCCC1)C(=O)c1cc2ccc(C)cc2[nH]1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide?
The InChIKey is OATNQZPKJJQFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-22(14-19(24)23-10-6-4-5-7-11-23)20(25)18-13-16-9-8-15(2)12-17(16)21-18/h8-9,12-13,21H,3-7,10-11,14H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 146125832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).