1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide

C15H26N6O3 — CID 91911473

IUPAC1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide
SMILESCCC(C)NC(=O)N1CC(n2cc(C(=O)N(C)CCOC)nn2)C1
InChIInChI=1S/C15H26N6O3/c1-5-11(2)16-15(23)20-8-12(9-20)21-10-13(17-18-21)14(22)19(3)6-7-24-4/h10-12H,5-9H2,1-4H3,(H,16,23)
InChIKeyMWWZPLIXYBRHKU-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.36
Rot. Bonds7

About 1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide

1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide (PubChem CID 91911473) has the molecular formula C15H26N6O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide
PubChem CID91911473
Molecular FormulaC15H26N6O3
Molecular Weight338.41 g/mol
Exact Mass338.21
IUPAC Name1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide
SMILESCCC(C)NC(=O)N1CC(n2cc(C(=O)N(C)CCOC)nn2)C1
InChIInChI=1S/C15H26N6O3/c1-5-11(2)16-15(23)20-8-12(9-20)21-10-13(17-18-21)14(22)19(3)6-7-24-4/h10-12H,5-9H2,1-4H3,(H,16,23)
InChIKeyMWWZPLIXYBRHKU-UHFFFAOYSA-N
XLogP0.36
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide (CID 91911473) is 1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide is CCC(C)NC(=O)N1CC(n2cc(C(=O)N(C)CCOC)nn2)C1.
What is the InChIKey of 1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide?
The InChIKey is MWWZPLIXYBRHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O3/c1-5-11(2)16-15(23)20-8-12(9-20)21-10-13(17-18-21)14(22)19(3)6-7-24-4/h10-12H,5-9H2,1-4H3,(H,16,23).
What are the key properties of 1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide?
1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 91911473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).