2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide

C15H27N5O2 — CID 140958839

IUPAC2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)N(Cc1cn(C(C)C)nn1)C(C)C
InChIInChI=1S/C15H27N5O2/c1-10(2)15(22)16-7-14(21)19(11(3)4)8-13-9-20(12(5)6)18-17-13/h9-12H,7-8H2,1-6H3,(H,16,22)
InChIKeyBMWYENHUNHZABT-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.37
Rot. Bonds7

About 2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide

2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide (PubChem CID 140958839) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide
PubChem CID140958839
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)N(Cc1cn(C(C)C)nn1)C(C)C
InChIInChI=1S/C15H27N5O2/c1-10(2)15(22)16-7-14(21)19(11(3)4)8-13-9-20(12(5)6)18-17-13/h9-12H,7-8H2,1-6H3,(H,16,22)
InChIKeyBMWYENHUNHZABT-UHFFFAOYSA-N
XLogP1.37
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide (CID 140958839) is 2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide is CC(C)C(=O)NCC(=O)N(Cc1cn(C(C)C)nn1)C(C)C.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide?
The InChIKey is BMWYENHUNHZABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-10(2)15(22)16-7-14(21)19(11(3)4)8-13-9-20(12(5)6)18-17-13/h9-12H,7-8H2,1-6H3,(H,16,22).
What are the key properties of 2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide?
2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide has a molecular weight of 309.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[propan-2-yl-[(1-propan-2-yltriazol-4-yl)methyl]amino]ethyl]propanamide is sourced from PubChem (CID 140958839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).