2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide

C14H19N7O3 — CID 6884488

IUPAC2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N/NC(=O)Cn2nnc(N)n2)cc1OC
InChIInChI=1S/C14H19N7O3/c1-3-6-24-11-5-4-10(7-12(11)23-2)8-16-17-13(22)9-21-19-14(15)18-20-21/h4-5,7-8H,3,6,9H2,1-2H3,(H2,15,19)(H,17,22)/b16-8+
InChIKeyQNLLTYGMOZZLAB-LZYBPNLTSA-N
MW333.35 g/mol
LogP0.20
Rot. Bonds8

About 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide (PubChem CID 6884488) has the molecular formula C14H19N7O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
PubChem CID6884488
Molecular FormulaC14H19N7O3
Molecular Weight333.35 g/mol
Exact Mass333.15
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N/NC(=O)Cn2nnc(N)n2)cc1OC
InChIInChI=1S/C14H19N7O3/c1-3-6-24-11-5-4-10(7-12(11)23-2)8-16-17-13(22)9-21-19-14(15)18-20-21/h4-5,7-8H,3,6,9H2,1-2H3,(H2,15,19)(H,17,22)/b16-8+
InChIKeyQNLLTYGMOZZLAB-LZYBPNLTSA-N
XLogP0.20
TPSA129.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 948256
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5424503
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524149
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883606
2-(5-aminotetrazol-2-yl)-N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 6884699
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 6909799
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N-(4-methoxyphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3486320
N-(3,4-dichlorophenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 6297265
N-[[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 5190942
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide (CID 6884488) is 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide is CCCOc1ccc(/C=N/NC(=O)Cn2nnc(N)n2)cc1OC.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is QNLLTYGMOZZLAB-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H19N7O3/c1-3-6-24-11-5-4-10(7-12(11)23-2)8-16-17-13(22)9-21-19-14(15)18-20-21/h4-5,7-8H,3,6,9H2,1-2H3,(H2,15,19)(H,17,22)/b16-8+.
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 333.35 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6884488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).