7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide

C15H19N3O2 — CID 62058041

IUPAC7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)NCCC3CCCO3)[nH]c12
InChIInChI=1S/C15H19N3O2/c16-12-5-1-3-10-9-13(18-14(10)12)15(19)17-7-6-11-4-2-8-20-11/h1,3,5,9,11,18H,2,4,6-8,16H2,(H,17,19)
InChIKeyMMVQAESFYMAYSU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds4

About 7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide

7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 62058041) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID62058041
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)NCCC3CCCO3)[nH]c12
InChIInChI=1S/C15H19N3O2/c16-12-5-1-3-10-9-13(18-14(10)12)15(19)17-7-6-11-4-2-8-20-11/h1,3,5,9,11,18H,2,4,6-8,16H2,(H,17,19)
InChIKeyMMVQAESFYMAYSU-UHFFFAOYSA-N
XLogP2.05
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
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
7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849434
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
7-amino-N-(3-methylsulfonylpropyl)-1H-indole-2-carboxamide
CID 62058325
7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
CID 63117511
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
3-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 61127532
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate
CID 63118046
5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 61127124

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide (CID 62058041) is 7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide is Nc1cccc2cc(C(=O)NCCC3CCCO3)[nH]c12.
What is the InChIKey of 7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is MMVQAESFYMAYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-12-5-1-3-10-9-13(18-14(10)12)15(19)17-7-6-11-4-2-8-20-11/h1,3,5,9,11,18H,2,4,6-8,16H2,(H,17,19).
What are the key properties of 7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide?
7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 62058041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).