N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide

C21H30N2O2 — CID 102557505

IUPACN-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide
SMILESCc1cn(CC(=O)NCC2CCCOC2C(C)(C)C)c2ccccc12
InChIInChI=1S/C21H30N2O2/c1-15-13-23(18-10-6-5-9-17(15)18)14-19(24)22-12-16-8-7-11-25-20(16)21(2,3)4/h5-6,9-10,13,16,20H,7-8,11-12,14H2,1-4H3,(H,22,24)
InChIKeyAAGQWFPQNZPWNS-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.91
Rot. Bonds4

About N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide

N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide (PubChem CID 102557505) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide
PubChem CID102557505
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide
SMILESCc1cn(CC(=O)NCC2CCCOC2C(C)(C)C)c2ccccc12
InChIInChI=1S/C21H30N2O2/c1-15-13-23(18-10-6-5-9-17(15)18)14-19(24)22-12-16-8-7-11-25-20(16)21(2,3)4/h5-6,9-10,13,16,20H,7-8,11-12,14H2,1-4H3,(H,22,24)
InChIKeyAAGQWFPQNZPWNS-UHFFFAOYSA-N
XLogP3.91
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-2-(3-methylindol-1-yl)acetamide
CID 111464102
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide
CID 119951819
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]acetamide
CID 97465954
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18564611
N-(oxolan-2-ylmethyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 4212528
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 43958313
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
N-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86971606

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide?
The IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide (CID 102557505) is N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide?
The canonical SMILES for N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide is Cc1cn(CC(=O)NCC2CCCOC2C(C)(C)C)c2ccccc12.
What is the InChIKey of N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide?
The InChIKey is AAGQWFPQNZPWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15-13-23(18-10-6-5-9-17(15)18)14-19(24)22-12-16-8-7-11-25-20(16)21(2,3)4/h5-6,9-10,13,16,20H,7-8,11-12,14H2,1-4H3,(H,22,24).
What are the key properties of N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide?
N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide has a molecular weight of 342.48 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxan-3-yl)methyl]-2-(3-methylindol-1-yl)acetamide is sourced from PubChem (CID 102557505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).