6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide

C18H26N2O2 — CID 36995777

IUPAC6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide
SMILESCCOCCCNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C18H26N2O2/c1-5-22-10-6-9-19-17(21)16-11-13-7-8-14(18(2,3)4)12-15(13)20-16/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,19,21)
InChIKeyZLGBLSIFTGQVKC-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.62
Rot. Bonds6

About 6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide

6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide (PubChem CID 36995777) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide
PubChem CID36995777
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide
SMILESCCOCCCNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C18H26N2O2/c1-5-22-10-6-9-19-17(21)16-11-13-7-8-14(18(2,3)4)12-15(13)20-16/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,19,21)
InChIKeyZLGBLSIFTGQVKC-UHFFFAOYSA-N
XLogP3.62
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
6-tert-butyl-1H-indole-2-carboxylic acid
CID 5172468
6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide
CID 97008925
4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 18108948
6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 78854248
4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 43642461
6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide
CID 55655686
6-tert-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 55597884
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide (CID 36995777) is 6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide is CCOCCCNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1.
What is the InChIKey of 6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide?
The InChIKey is ZLGBLSIFTGQVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-22-10-6-9-19-17(21)16-11-13-7-8-14(18(2,3)4)12-15(13)20-16/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,19,21).
What are the key properties of 6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide?
6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 36995777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).