N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide

C14H19N5O — CID 71876752

IUPACN-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide
SMILESCCCc1nnnn1CC(=O)NCc1cccc(C)c1
InChIInChI=1S/C14H19N5O/c1-3-5-13-16-17-18-19(13)10-14(20)15-9-12-7-4-6-11(2)8-12/h4,6-8H,3,5,9-10H2,1-2H3,(H,15,20)
InChIKeyRGYRBLVWKYTMAP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.25
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide

N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide (PubChem CID 71876752) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide
PubChem CID71876752
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide
SMILESCCCc1nnnn1CC(=O)NCc1cccc(C)c1
InChIInChI=1S/C14H19N5O/c1-3-5-13-16-17-18-19(13)10-14(20)15-9-12-7-4-6-11(2)8-12/h4,6-8H,3,5,9-10H2,1-2H3,(H,15,20)
InChIKeyRGYRBLVWKYTMAP-UHFFFAOYSA-N
XLogP1.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide (CID 71876752) is N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide is CCCc1nnnn1CC(=O)NCc1cccc(C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide?
The InChIKey is RGYRBLVWKYTMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-5-13-16-17-18-19(13)10-14(20)15-9-12-7-4-6-11(2)8-12/h4,6-8H,3,5,9-10H2,1-2H3,(H,15,20).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide?
N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide is sourced from PubChem (CID 71876752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).