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

C16H21N3O2 — CID 63117988

IUPAC7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C16H21N3O2/c1-2-19(10-12-6-4-8-21-12)16(20)14-9-11-5-3-7-13(17)15(11)18-14/h3,5,7,9,12,18H,2,4,6,8,10,17H2,1H3
InChIKeyZPVMFVITSJJQMD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.39
Rot. Bonds4

About 7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 63117988) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID63117988
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C16H21N3O2/c1-2-19(10-12-6-4-8-21-12)16(20)14-9-11-5-3-7-13(17)15(11)18-14/h3,5,7,9,12,18H,2,4,6,8,10,17H2,1H3
InChIKeyZPVMFVITSJJQMD-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

5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63118374
7-amino-N-cyclopentyl-N-ethyl-1H-indole-2-carboxamide
CID 62057898
7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide
CID 63118057
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3151688
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620
3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 122565335
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325519
ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
CID 94489762

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (CID 63117988) is 7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is CCN(CC1CCCO1)C(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of 7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is ZPVMFVITSJJQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-19(10-12-6-4-8-21-12)16(20)14-9-11-5-3-7-13(17)15(11)18-14/h3,5,7,9,12,18H,2,4,6,8,10,17H2,1H3.
What are the key properties of 7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
7-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 7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63117988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).