N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide

C22H25N5O3 — CID 24590707

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1
InChIInChI=1S/C22H25N5O3/c1-2-29-19-10-12-20(13-11-19)30-14-4-7-21(28)23-17-6-3-5-16(15-17)22-24-25-26-27(22)18-8-9-18/h3,5-6,10-13,15,18H,2,4,7-9,14H2,1H3,(H,23,28)
InChIKeyPGBNGOGKRZZQGF-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.87
Rot. Bonds10

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide (PubChem CID 24590707) 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]-4-(4-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
PubChem CID24590707
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1
InChIInChI=1S/C22H25N5O3/c1-2-29-19-10-12-20(13-11-19)30-14-4-7-21(28)23-17-6-3-5-16(15-17)22-24-25-26-27(22)18-8-9-18/h3,5-6,10-13,15,18H,2,4,7-9,14H2,1H3,(H,23,28)
InChIKeyPGBNGOGKRZZQGF-UHFFFAOYSA-N
XLogP3.87
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluorophenoxy)propanamide
CID 39675295
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
CID 24590710
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide
CID 55500726
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-ethoxyphenoxy)butanamide
CID 55536713
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
CID 55565798
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 24590722
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 41293386

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide (CID 24590707) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide is CCOc1ccc(OCCCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide?
The InChIKey is PGBNGOGKRZZQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-2-29-19-10-12-20(13-11-19)30-14-4-7-21(28)23-17-6-3-5-16(15-17)22-24-25-26-27(22)18-8-9-18/h3,5-6,10-13,15,18H,2,4,7-9,14H2,1H3,(H,23,28).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide has a molecular weight of 407.47 g/mol, XLogP of 3.87, 10 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]-4-(4-ethoxyphenoxy)butanamide is sourced from PubChem (CID 24590707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).