5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

C16H21N3O2 — CID 63118374

IUPAC5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C16H21N3O2/c1-2-19(10-13-4-3-7-21-13)16(20)15-9-11-8-12(17)5-6-14(11)18-15/h5-6,8-9,13,18H,2-4,7,10,17H2,1H3
InChIKeyAOLXKVLSTCWVCD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.39
Rot. Bonds4

About 5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 63118374) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID63118374
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C16H21N3O2/c1-2-19(10-13-4-3-7-21-13)16(20)15-9-11-8-12(17)5-6-14(11)18-15/h5-6,8-9,13,18H,2-4,7,10,17H2,1H3
InChIKeyAOLXKVLSTCWVCD-UHFFFAOYSA-N
XLogP2.39
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63117988
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 63117755
5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63727606
5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
CID 62056822
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 146087509
5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide
CID 61439301
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3,3-diethyl-1-(oxolan-2-ylmethyl)urea
CID 3216643
N-(cyclohexylmethyl)-5-(difluoromethoxy)-N-ethyl-1H-indole-2-carboxamide
CID 158927185

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (CID 63118374) is 5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is CCN(CC1CCCO1)C(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is AOLXKVLSTCWVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-19(10-13-4-3-7-21-13)16(20)15-9-11-8-12(17)5-6-14(11)18-15/h5-6,8-9,13,18H,2-4,7,10,17H2,1H3.
What are the key properties of 5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63118374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).