N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide

C23H23N5O2 — CID 16799160

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCc1nnnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C23H23N5O2/c1-4-30-20-12-10-17-7-5-6-8-19(17)22(20)23(29)24-14-21-25-26-27-28(21)18-11-9-15(2)16(3)13-18/h5-13H,4,14H2,1-3H3,(H,24,29)
InChIKeyTULMJITZYUJLHN-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.76
Rot. Bonds6

About N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide (PubChem CID 16799160) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide
PubChem CID16799160
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCc1nnnn1-c1ccc(C)c(C)c1
InChIInChI=1S/C23H23N5O2/c1-4-30-20-12-10-17-7-5-6-8-19(17)22(20)23(29)24-14-21-25-26-27-28(21)18-11-9-15(2)16(3)13-18/h5-13H,4,14H2,1-3H3,(H,24,29)
InChIKeyTULMJITZYUJLHN-UHFFFAOYSA-N
XLogP3.76
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide (CID 16799160) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCc1nnnn1-c1ccc(C)c(C)c1.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is TULMJITZYUJLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-4-30-20-12-10-17-7-5-6-8-19(17)22(20)23(29)24-14-21-25-26-27-28(21)18-11-9-15(2)16(3)13-18/h5-13H,4,14H2,1-3H3,(H,24,29).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 16799160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).