4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide

C19H21N5O2 — CID 55677152

IUPAC4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
SMILESCc1cccc(OCCCC(=O)Nc2cccc(-n3nnnc3C)c2)c1
InChIInChI=1S/C19H21N5O2/c1-14-6-3-9-18(12-14)26-11-5-10-19(25)20-16-7-4-8-17(13-16)24-15(2)21-22-23-24/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,20,25)
InChIKeyNKDCPASQQVSGEK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.08
Rot. Bonds7

About 4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide

4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide (PubChem CID 55677152) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
PubChem CID55677152
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
SMILESCc1cccc(OCCCC(=O)Nc2cccc(-n3nnnc3C)c2)c1
InChIInChI=1S/C19H21N5O2/c1-14-6-3-9-18(12-14)26-11-5-10-19(25)20-16-7-4-8-17(13-16)24-15(2)21-22-23-24/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,20,25)
InChIKeyNKDCPASQQVSGEK-UHFFFAOYSA-N
XLogP3.08
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 78864201
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 55698026
3-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 81070653

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide (CID 55677152) is 4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide is Cc1cccc(OCCCC(=O)Nc2cccc(-n3nnnc3C)c2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
The InChIKey is NKDCPASQQVSGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-6-3-9-18(12-14)26-11-5-10-19(25)20-16-7-4-8-17(13-16)24-15(2)21-22-23-24/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,20,25).
What are the key properties of 4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide has a molecular weight of 351.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 55677152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).