N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

C19H21N5O4 — CID 9082707

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nnc(COc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H21N5O4/c1-26-16-9-8-14(10-17(16)27-2)11-20-19(25)12-24-22-18(21-23-24)13-28-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,20,25)
InChIKeySASPGDHJUOVKBE-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.59
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (PubChem CID 9082707) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
PubChem CID9082707
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nnc(COc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H21N5O4/c1-26-16-9-8-14(10-17(16)27-2)11-20-19(25)12-24-22-18(21-23-24)13-28-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,20,25)
InChIKeySASPGDHJUOVKBE-UHFFFAOYSA-N
XLogP1.59
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9071036
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 3170398
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26691371
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820058
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 46684237
N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (CID 9082707) is N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is COc1ccc(CNC(=O)Cn2nnc(COc3ccccc3)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The InChIKey is SASPGDHJUOVKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-16-9-8-14(10-17(16)27-2)11-20-19(25)12-24-22-18(21-23-24)13-28-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,20,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 9082707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).