N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide

C15H18N2O2 — CID 71917211

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide
SMILESC=C(C)COCCNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C15H18N2O2/c1-11(2)10-19-9-8-17-15(18)13-5-3-4-12-6-7-16-14(12)13/h3-7,16H,1,8-10H2,2H3,(H,17,18)
InChIKeyBAZVSRAZBOMGIM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.49
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide (PubChem CID 71917211) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide
PubChem CID71917211
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide
SMILESC=C(C)COCCNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C15H18N2O2/c1-11(2)10-19-9-8-17-15(18)13-5-3-4-12-6-7-16-14(12)13/h3-7,16H,1,8-10H2,2H3,(H,17,18)
InChIKeyBAZVSRAZBOMGIM-UHFFFAOYSA-N
XLogP2.49
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 103769451
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide
CID 103706674
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
N-(2-cyclobutylethyl)-1H-indole-7-carboxamide
CID 115687252
N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide
CID 115700247
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
N-(3-cyclopentylpropyl)-1H-indole-7-carboxamide
CID 103706667
N-[3-(cyclopropylamino)-3-oxopropyl]-1H-indole-7-carboxamide
CID 79396451
2-(pyridine-4-carbonylamino)ethyl 1H-indole-7-carboxylate
CID 71869452

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide (CID 71917211) is N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide is C=C(C)COCCNC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide?
The InChIKey is BAZVSRAZBOMGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)10-19-9-8-17-15(18)13-5-3-4-12-6-7-16-14(12)13/h3-7,16H,1,8-10H2,2H3,(H,17,18).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 71917211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).