N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide

C11H12N6O4 — CID 110500427

IUPACN-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nnnn2C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N6O4/c1-16-10(13-14-15-16)6-11(18)12-7-3-4-9(21-2)8(5-7)17(19)20/h3-5H,6H2,1-2H3,(H,12,18)
InChIKeyFAMWKLKZUWFITC-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.31
Rot. Bonds5

About N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide

N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide (PubChem CID 110500427) has the molecular formula C11H12N6O4 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide
PubChem CID110500427
Molecular FormulaC11H12N6O4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC NameN-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nnnn2C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N6O4/c1-16-10(13-14-15-16)6-11(18)12-7-3-4-9(21-2)8(5-7)17(19)20/h3-5H,6H2,1-2H3,(H,12,18)
InChIKeyFAMWKLKZUWFITC-UHFFFAOYSA-N
XLogP0.31
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500369
N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500481
N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17101923
2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110500529
2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide
CID 108789180
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 16879379
N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3377488
N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide
CID 108796825
3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide
CID 108790150
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide (CID 110500427) is N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide is COc1ccc(NC(=O)Cc2nnnn2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is FAMWKLKZUWFITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4/c1-16-10(13-14-15-16)6-11(18)12-7-3-4-9(21-2)8(5-7)17(19)20/h3-5H,6H2,1-2H3,(H,12,18).
What are the key properties of N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide?
N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 292.26 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 110500427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).