N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide

C20H24N6O3 — CID 2549804

IUPACN-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)c2nnnn2-c2ccccc2)cc1OCC
InChIInChI=1S/C20H24N6O3/c1-4-28-17-12-11-15(13-18(17)29-5-2)21-19(27)14-25(3)20-22-23-24-26(20)16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3,(H,21,27)
InChIKeyNMUYZZACSBUASA-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.53
Rot. Bonds9

About N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide

N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide (PubChem CID 2549804) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide
PubChem CID2549804
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)c2nnnn2-c2ccccc2)cc1OCC
InChIInChI=1S/C20H24N6O3/c1-4-28-17-12-11-15(13-18(17)29-5-2)21-19(27)14-25(3)20-22-23-24-26(20)16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3,(H,21,27)
InChIKeyNMUYZZACSBUASA-UHFFFAOYSA-N
XLogP2.53
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide (CID 2549804) is N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide is CCOc1ccc(NC(=O)CN(C)c2nnnn2-c2ccccc2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide?
The InChIKey is NMUYZZACSBUASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-4-28-17-12-11-15(13-18(17)29-5-2)21-19(27)14-25(3)20-22-23-24-26(20)16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3,(H,21,27).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide?
N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide has a molecular weight of 396.45 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide is sourced from PubChem (CID 2549804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).