3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide

C22H31N3O2 — CID 167972694

IUPAC3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide
SMILESCC(C)Cn1cc(C(=O)N2CC(NC(=O)CC(C)(C)C)C2)c2ccccc21
InChIInChI=1S/C22H31N3O2/c1-15(2)11-24-14-18(17-8-6-7-9-19(17)24)21(27)25-12-16(13-25)23-20(26)10-22(3,4)5/h6-9,14-16H,10-13H2,1-5H3,(H,23,26)
InChIKeyVJDGNZAELYPNJJ-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.67
Rot. Bonds5

About 3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide

3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide (PubChem CID 167972694) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide
PubChem CID167972694
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide
SMILESCC(C)Cn1cc(C(=O)N2CC(NC(=O)CC(C)(C)C)C2)c2ccccc21
InChIInChI=1S/C22H31N3O2/c1-15(2)11-24-14-18(17-8-6-7-9-19(17)24)21(27)25-12-16(13-25)23-20(26)10-22(3,4)5/h6-9,14-16H,10-13H2,1-5H3,(H,23,26)
InChIKeyVJDGNZAELYPNJJ-UHFFFAOYSA-N
XLogP3.67
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide (CID 167972694) is 3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide is CC(C)Cn1cc(C(=O)N2CC(NC(=O)CC(C)(C)C)C2)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide?
The InChIKey is VJDGNZAELYPNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15(2)11-24-14-18(17-8-6-7-9-19(17)24)21(27)25-12-16(13-25)23-20(26)10-22(3,4)5/h6-9,14-16H,10-13H2,1-5H3,(H,23,26).
What are the key properties of 3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide?
3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide has a molecular weight of 369.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide is sourced from PubChem (CID 167972694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).