N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide

C18H24N2O2 — CID 96544646

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21
InChIInChI=1S/C18H24N2O2/c1-18(2)11-14(8-9-22-18)19-17(21)10-13-12-20(3)16-7-5-4-6-15(13)16/h4-7,12,14H,8-11H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyVBPKMTIOEITBED-AWEZNQCLSA-N
MW300.40 g/mol
LogP2.79
Rot. Bonds3

About N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide

N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 96544646) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide
PubChem CID96544646
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21
InChIInChI=1S/C18H24N2O2/c1-18(2)11-14(8-9-22-18)19-17(21)10-13-12-20(3)16-7-5-4-6-15(13)16/h4-7,12,14H,8-11H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyVBPKMTIOEITBED-AWEZNQCLSA-N
XLogP2.79
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide
CID 98783390
methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86859520
N-[(4R)-2,2-dimethyloxan-4-yl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 96544276
N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52902429
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(1-methylindol-3-yl)sulfanylacetamide
CID 70714137
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 71784688
2-(1-methylindol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772729
N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 136517618
formic acid;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 71784687
5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 115563750
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(1-methylindol-3-yl)acetamide
CID 131907095
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide (CID 96544646) is N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21.
What is the InChIKey of N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is VBPKMTIOEITBED-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-18(2)11-14(8-9-22-18)19-17(21)10-13-12-20(3)16-7-5-4-6-15(13)16/h4-7,12,14H,8-11H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide?
N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 300.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 96544646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).