1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide

C20H30N2O3 — CID 110498665

IUPAC1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)N(CCOC)CCOC)c(C)c2ccccc21
InChIInChI=1S/C20H30N2O3/c1-5-6-11-22-18-10-8-7-9-17(18)16(2)19(22)20(23)21(12-14-24-3)13-15-25-4/h7-10H,5-6,11-15H2,1-4H3
InChIKeyRRXGBUJYXMDOSH-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.48
Rot. Bonds10

About 1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide

1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide (PubChem CID 110498665) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide
PubChem CID110498665
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)N(CCOC)CCOC)c(C)c2ccccc21
InChIInChI=1S/C20H30N2O3/c1-5-6-11-22-18-10-8-7-9-17(18)16(2)19(22)20(23)21(12-14-24-3)13-15-25-4/h7-10H,5-6,11-15H2,1-4H3
InChIKeyRRXGBUJYXMDOSH-UHFFFAOYSA-N
XLogP3.48
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide?
The IUPAC name of 1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide (CID 110498665) is 1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide.
What is the SMILES notation for 1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide?
The canonical SMILES for 1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide is CCCCn1c(C(=O)N(CCOC)CCOC)c(C)c2ccccc21.
What is the InChIKey of 1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide?
The InChIKey is RRXGBUJYXMDOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-6-11-22-18-10-8-7-9-17(18)16(2)19(22)20(23)21(12-14-24-3)13-15-25-4/h7-10H,5-6,11-15H2,1-4H3.
What are the key properties of 1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide?
1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide is sourced from PubChem (CID 110498665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).