1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide

C20H28N2O2 — CID 43818819

IUPAC1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide
SMILESCCCN(CC1CCCO1)C(=O)c1c(C)c2cc(C)ccc2n1C
InChIInChI=1S/C20H28N2O2/c1-5-10-22(13-16-7-6-11-24-16)20(23)19-15(3)17-12-14(2)8-9-18(17)21(19)4/h8-9,12,16H,5-7,10-11,13H2,1-4H3
InChIKeyIKZSHUXJSICARL-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.83
Rot. Bonds5

About 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide

1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide (PubChem CID 43818819) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide
PubChem CID43818819
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide
SMILESCCCN(CC1CCCO1)C(=O)c1c(C)c2cc(C)ccc2n1C
InChIInChI=1S/C20H28N2O2/c1-5-10-22(13-16-7-6-11-24-16)20(23)19-15(3)17-12-14(2)8-9-18(17)21(19)4/h8-9,12,16H,5-7,10-11,13H2,1-4H3
InChIKeyIKZSHUXJSICARL-UHFFFAOYSA-N
XLogP3.83
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-N-propyl-1H-pyridine-4-carboxamide
CID 86285769
2-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide
CID 99977630
1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 164631306
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide
CID 95211562
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352945
2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide
CID 95614526
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95188615
N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 146087509
N-[3-(dipropylamino)-3-oxopropyl]-2-methyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780309
N-(oxan-2-ylmethyl)-N-propyl-2H-benzotriazole-5-carboxamide
CID 86812984
3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea
CID 86799962

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide (CID 43818819) is 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide is CCCN(CC1CCCO1)C(=O)c1c(C)c2cc(C)ccc2n1C.
What is the InChIKey of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide?
The InChIKey is IKZSHUXJSICARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-5-10-22(13-16-7-6-11-24-16)20(23)19-15(3)17-12-14(2)8-9-18(17)21(19)4/h8-9,12,16H,5-7,10-11,13H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide?
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide is sourced from PubChem (CID 43818819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).