N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide

C16H26N6O — CID 50967017

IUPACN-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)c1nccn1C(C)C(=O)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C16H26N6O/c1-11(2)15-17-7-8-21(15)13(5)16(23)20(6)9-14-19-18-10-22(14)12(3)4/h7-8,10-13H,9H2,1-6H3
InChIKeyNLBLNAPGXVHWKJ-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.40
Rot. Bonds6

About N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide

N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 50967017) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID50967017
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC NameN-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)c1nccn1C(C)C(=O)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C16H26N6O/c1-11(2)15-17-7-8-21(15)13(5)16(23)20(6)9-14-19-18-10-22(14)12(3)4/h7-8,10-13H,9H2,1-6H3
InChIKeyNLBLNAPGXVHWKJ-UHFFFAOYSA-N
XLogP2.40
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (CID 50967017) is N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is CC(C)c1nccn1C(C)C(=O)N(C)Cc1nncn1C(C)C.
What is the InChIKey of N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is NLBLNAPGXVHWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-11(2)15-17-7-8-21(15)13(5)16(23)20(6)9-14-19-18-10-22(14)12(3)4/h7-8,10-13H,9H2,1-6H3.
What are the key properties of N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 318.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 50967017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).