2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide

C12H15N5O2 — CID 47418203

IUPAC2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(C)OCC(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H15N5O2/c1-9(2)19-7-12(18)14-10-4-3-5-11(6-10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyGJRVRWPIVQGMEJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.03
Rot. Bonds5

About 2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide

2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 47418203) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
PubChem CID47418203
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(C)OCC(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H15N5O2/c1-9(2)19-7-12(18)14-10-4-3-5-11(6-10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyGJRVRWPIVQGMEJ-UHFFFAOYSA-N
XLogP1.03
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
CID 82012333
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
2-(2-chlorophenoxy)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8753073
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 47367692
N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709073
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide (CID 47418203) is 2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide is CC(C)OCC(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is GJRVRWPIVQGMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9(2)19-7-12(18)14-10-4-3-5-11(6-10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18).
What are the key properties of 2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide?
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 47418203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).