N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide

C22H25N5O3 — CID 24590722

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1OCC
InChIInChI=1S/C22H25N5O3/c1-3-12-30-19-11-8-16(14-20(19)29-4-2)22(28)23-17-7-5-6-15(13-17)21-24-25-26-27(21)18-9-10-18/h5-8,11,13-14,18H,3-4,9-10,12H2,1-2H3,(H,23,28)
InChIKeyLGLGDCFNXBWHQL-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.11
Rot. Bonds9

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide (PubChem CID 24590722) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
PubChem CID24590722
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1OCC
InChIInChI=1S/C22H25N5O3/c1-3-12-30-19-11-8-16(14-20(19)29-4-2)22(28)23-17-7-5-6-15(13-17)21-24-25-26-27(21)18-9-10-18/h5-8,11,13-14,18H,3-4,9-10,12H2,1-2H3,(H,23,28)
InChIKeyLGLGDCFNXBWHQL-UHFFFAOYSA-N
XLogP4.11
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 39688585
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
CID 41181754
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 24590707
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
CID 55565798
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41182442
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 41172527
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide
CID 41181527
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-ethoxyphenoxy)butanamide
CID 55536713
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide (CID 24590722) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1OCC.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide?
The InChIKey is LGLGDCFNXBWHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-3-12-30-19-11-8-16(14-20(19)29-4-2)22(28)23-17-7-5-6-15(13-17)21-24-25-26-27(21)18-9-10-18/h5-8,11,13-14,18H,3-4,9-10,12H2,1-2H3,(H,23,28).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide has a molecular weight of 407.47 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 24590722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).