2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide

C17H23N5O — CID 75461531

IUPAC2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide
SMILESCC(C1CC1)N(C)CC(=O)NCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-13(14-8-9-14)21(2)12-17(23)18-10-15-11-19-22(20-15)16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3,(H,18,23)
InChIKeyKFPUTKLCPIOEFU-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.61
Rot. Bonds7

About 2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide

2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide (PubChem CID 75461531) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide
PubChem CID75461531
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide
SMILESCC(C1CC1)N(C)CC(=O)NCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-13(14-8-9-14)21(2)12-17(23)18-10-15-11-19-22(20-15)16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3,(H,18,23)
InChIKeyKFPUTKLCPIOEFU-UHFFFAOYSA-N
XLogP1.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide (CID 75461531) is 2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide is CC(C1CC1)N(C)CC(=O)NCc1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide?
The InChIKey is KFPUTKLCPIOEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(14-8-9-14)21(2)12-17(23)18-10-15-11-19-22(20-15)16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3,(H,18,23).
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide?
2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 75461531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).