methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate

C20H19N5O5 — CID 118626475

IUPACmethyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)OC)cc(-n2cnnn2)c1
InChIInChI=1S/C20H19N5O5/c1-4-30-18-6-5-13(12(2)26)10-17(18)22-19(27)14-7-15(20(28)29-3)9-16(8-14)25-11-21-23-24-25/h5-11H,4H2,1-3H3,(H,22,27)
InChIKeyBZVZDOGTUJYOGH-UHFFFAOYSA-N
MW409.40 g/mol
LogP2.30
Rot. Bonds7

About methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate

methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate (PubChem CID 118626475) has the molecular formula C20H19N5O5 and a molecular weight of 409.40 g/mol. Its IUPAC name is methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate
PubChem CID118626475
Molecular FormulaC20H19N5O5
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Namemethyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)OC)cc(-n2cnnn2)c1
InChIInChI=1S/C20H19N5O5/c1-4-30-18-6-5-13(12(2)26)10-17(18)22-19(27)14-7-15(20(28)29-3)9-16(8-14)25-11-21-23-24-25/h5-11H,4H2,1-3H3,(H,22,27)
InChIKeyBZVZDOGTUJYOGH-UHFFFAOYSA-N
XLogP2.30
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate
CID 118626412
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate
CID 118626481
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 35362853
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
CID 55601488
N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide
CID 75401141
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 55616965

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate?
The IUPAC name of methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate (CID 118626475) is methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate.
What is the SMILES notation for methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate?
The canonical SMILES for methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate is CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)OC)cc(-n2cnnn2)c1.
What is the InChIKey of methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate?
The InChIKey is BZVZDOGTUJYOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O5/c1-4-30-18-6-5-13(12(2)26)10-17(18)22-19(27)14-7-15(20(28)29-3)9-16(8-14)25-11-21-23-24-25/h5-11H,4H2,1-3H3,(H,22,27).
What are the key properties of methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate?
methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate has a molecular weight of 409.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 118626475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).