2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide

C17H18N6O2 — CID 167858469

IUPAC2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H18N6O2/c1-25-12-17(24)19-14-7-5-6-13(10-14)18-11-16-20-21-22-23(16)15-8-3-2-4-9-15/h2-10,18H,11-12H2,1H3,(H,19,24)
InChIKeyBCYOVXFEEGNVTA-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.86
Rot. Bonds7

About 2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide

2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide (PubChem CID 167858469) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide
PubChem CID167858469
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H18N6O2/c1-25-12-17(24)19-14-7-5-6-13(10-14)18-11-16-20-21-22-23(16)15-8-3-2-4-9-15/h2-10,18H,11-12H2,1H3,(H,19,24)
InChIKeyBCYOVXFEEGNVTA-UHFFFAOYSA-N
XLogP1.86
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate
CID 47077786
2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide
CID 18565616
N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 66387466
2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
CID 62748713
N-(3-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 46572374
N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43713051
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
CID 18565917
methyl 2,4-difluoro-5-[(1-phenyltetrazol-5-yl)methylamino]benzoate
CID 47063754
N-[3-[(2-methoxyacetyl)amino]phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46585012
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide (CID 167858469) is 2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide is COCC(=O)Nc1cccc(NCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide?
The InChIKey is BCYOVXFEEGNVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-25-12-17(24)19-14-7-5-6-13(10-14)18-11-16-20-21-22-23(16)15-8-3-2-4-9-15/h2-10,18H,11-12H2,1H3,(H,19,24).
What are the key properties of 2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide?
2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 167858469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).