N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide

C19H20N6O4 — CID 7490095

IUPACN-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C19H20N6O4/c1-12(2)13-4-6-14(7-5-13)19-21-23-24(22-19)11-18(26)20-16-10-15(25(27)28)8-9-17(16)29-3/h4-10,12H,11H2,1-3H3,(H,20,26)
InChIKeyYOTAFUKUMPNMEV-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.02
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide

N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7490095) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
PubChem CID7490095
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C19H20N6O4/c1-12(2)13-4-6-14(7-5-13)19-21-23-24(22-19)11-18(26)20-16-10-15(25(27)28)8-9-17(16)29-3/h4-10,12H,11H2,1-3H3,(H,20,26)
InChIKeyYOTAFUKUMPNMEV-UHFFFAOYSA-N
XLogP3.02
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.02
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-(2-methoxy-4-nitrophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713097
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1169429
2-[5-(4-nitrophenyl)tetrazol-2-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 1129870
N-(2-methoxy-5-nitrophenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 47069830
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121051622
N-(2-methoxy-5-methylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 846173
N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 1129858
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 78866090
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121050893
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 30935973
2-[(4-nitrophenyl)methyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 8642868
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (CID 7490095) is N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is YOTAFUKUMPNMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-12(2)13-4-6-14(7-5-13)19-21-23-24(22-19)11-18(26)20-16-10-15(25(27)28)8-9-17(16)29-3/h4-10,12H,11H2,1-3H3,(H,20,26).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 396.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7490095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).