N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide

C21H31N3O2 — CID 91957402

IUPACN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NCC3(CN(C)C)CCOCC3)cc12
InChIInChI=1S/C21H31N3O2/c1-15-16(2)24(5)19-7-6-17(12-18(15)19)20(25)22-13-21(14-23(3)4)8-10-26-11-9-21/h6-7,12H,8-11,13-14H2,1-5H3,(H,22,25)
InChIKeyHOHOMXXZGMSWJY-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.88
Rot. Bonds5

About N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide

N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide (PubChem CID 91957402) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide
PubChem CID91957402
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NCC3(CN(C)C)CCOCC3)cc12
InChIInChI=1S/C21H31N3O2/c1-15-16(2)24(5)19-7-6-17(12-18(15)19)20(25)22-13-21(14-23(3)4)8-10-26-11-9-21/h6-7,12H,8-11,13-14H2,1-5H3,(H,22,25)
InChIKeyHOHOMXXZGMSWJY-UHFFFAOYSA-N
XLogP2.88
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 91957431
1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide
CID 20940028
N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111486100
6-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 167752625
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide
CID 110281594
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91957416
3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110631720
3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 110642402
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 79040021
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 71989568
N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111332930
N-[(4-hydroxyoxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 79037313

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide (CID 91957402) is N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide is Cc1c(C)n(C)c2ccc(C(=O)NCC3(CN(C)C)CCOCC3)cc12.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide?
The InChIKey is HOHOMXXZGMSWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15-16(2)24(5)19-7-6-17(12-18(15)19)20(25)22-13-21(14-23(3)4)8-10-26-11-9-21/h6-7,12H,8-11,13-14H2,1-5H3,(H,22,25).
What are the key properties of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide?
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide is sourced from PubChem (CID 91957402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).