N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide

C18H24N2O2 — CID 126426672

IUPACN-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESCc1c(CN(C)C(=O)C[C@H]2CCCOC2)[nH]c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-13-15-7-3-4-8-16(15)19-17(13)11-20(2)18(21)10-14-6-5-9-22-12-14/h3-4,7-8,14,19H,5-6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyWYVIUNNKQQSGLD-CQSZACIVSA-N
MW300.40 g/mol
LogP3.25
Rot. Bonds4

About N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide

N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide (PubChem CID 126426672) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
PubChem CID126426672
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESCc1c(CN(C)C(=O)C[C@H]2CCCOC2)[nH]c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-13-15-7-3-4-8-16(15)19-17(13)11-20(2)18(21)10-14-6-5-9-22-12-14/h3-4,7-8,14,19H,5-6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyWYVIUNNKQQSGLD-CQSZACIVSA-N
XLogP3.25
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide
CID 126452767
N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
CID 119082195
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide
CID 125462794
N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 131952470
1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 125440210
N-[3-(2,5-dimethylphenoxy)propyl]-N-methyl-2-[(3R)-oxan-3-yl]acetamide
CID 126453786
N-[3-(2,5-dimethylphenoxy)propyl]-N-methyl-2-[(3S)-oxan-3-yl]acetamide
CID 126453785
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
CID 125177499
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63706765
N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide
CID 119069905
N-methyl-2-[(3S)-oxolan-3-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 126444596
[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857188

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide (CID 126426672) is N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide is Cc1c(CN(C)C(=O)C[C@H]2CCCOC2)[nH]c2ccccc12.
What is the InChIKey of N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
The InChIKey is WYVIUNNKQQSGLD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-15-7-3-4-8-16(15)19-17(13)11-20(2)18(21)10-14-6-5-9-22-12-14/h3-4,7-8,14,19H,5-6,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide has a molecular weight of 300.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide is sourced from PubChem (CID 126426672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).