N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide

C20H20N2O2 — CID 74242329

IUPACN-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide
SMILESO=C(NCC1CCOc2ccccc2C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H20N2O2/c23-20(17-6-5-15-7-9-21-18(15)12-17)22-13-14-8-10-24-19-4-2-1-3-16(19)11-14/h1-7,9,12,14,21H,8,10-11,13H2,(H,22,23)
InChIKeyAXSHQLLNNCWSAI-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.54
Rot. Bonds3

About N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide

N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide (PubChem CID 74242329) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide
PubChem CID74242329
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide
SMILESO=C(NCC1CCOc2ccccc2C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H20N2O2/c23-20(17-6-5-15-7-9-21-18(15)12-17)22-13-14-8-10-24-19-4-2-1-3-16(19)11-14/h1-7,9,12,14,21H,8,10-11,13H2,(H,22,23)
InChIKeyAXSHQLLNNCWSAI-UHFFFAOYSA-N
XLogP3.54
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
7-methyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 74236452
2-ethyl-6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-pyridine-4-carboxamide
CID 72900967
N-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 97188851
1-methyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)benzimidazole-5-carboxamide
CID 72888259
3-(2-amino-2-oxoethoxy)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)benzamide
CID 72918967
N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)tetrazolo[1,5-a]pyridine-7-carboxamide
CID 72933735
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 72935726
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 72928083
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 118790782
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51115881
3,5-dimethyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylcarbamoyl]-1H-pyrrole-2-carboxylic acid
CID 125155736

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide (CID 74242329) is N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide is O=C(NCC1CCOc2ccccc2C1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide?
The InChIKey is AXSHQLLNNCWSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(17-6-5-15-7-9-21-18(15)12-17)22-13-14-8-10-24-19-4-2-1-3-16(19)11-14/h1-7,9,12,14,21H,8,10-11,13H2,(H,22,23).
What are the key properties of N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide?
N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 74242329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).