N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C16H24N6O2 — CID 23723238

IUPACN-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nnnc1CN(C)C(C)C
InChIInChI=1S/C16H24N6O2/c1-12(2)21(3)10-15-18-19-20-22(15)11-16(23)17-9-13-7-5-6-8-14(13)24-4/h5-8,12H,9-11H2,1-4H3,(H,17,23)
InChIKeyUHGGRRMWXJESDU-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.84
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 23723238) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID23723238
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nnnc1CN(C)C(C)C
InChIInChI=1S/C16H24N6O2/c1-12(2)21(3)10-15-18-19-20-22(15)11-16(23)17-9-13-7-5-6-8-14(13)24-4/h5-8,12H,9-11H2,1-4H3,(H,17,23)
InChIKeyUHGGRRMWXJESDU-UHFFFAOYSA-N
XLogP0.84
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 23723238) is N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is COc1ccccc1CNC(=O)Cn1nnnc1CN(C)C(C)C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is UHGGRRMWXJESDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-12(2)21(3)10-15-18-19-20-22(15)11-16(23)17-9-13-7-5-6-8-14(13)24-4/h5-8,12H,9-11H2,1-4H3,(H,17,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 23723238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).