N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide

C19H21N5O3 — CID 35362853

IUPACN-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H21N5O3/c1-3-4-10-27-18-9-8-16(26-2)12-17(18)21-19(25)14-6-5-7-15(11-14)24-13-20-22-23-24/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,25)
InChIKeyBJVCRVLZSAWMQB-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.10
Rot. Bonds8

About N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide

N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 35362853) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID35362853
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H21N5O3/c1-3-4-10-27-18-9-8-16(26-2)12-17(18)21-19(25)14-6-5-7-15(11-14)24-13-20-22-23-24/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,25)
InChIKeyBJVCRVLZSAWMQB-UHFFFAOYSA-N
XLogP3.10
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.10
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

N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 18081318
3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
CID 55674446
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119284799
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide
CID 4968506
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide (CID 35362853) is N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide is CCCCOc1ccc(OC)cc1NC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is BJVCRVLZSAWMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-3-4-10-27-18-9-8-16(26-2)12-17(18)21-19(25)14-6-5-7-15(11-14)24-13-20-22-23-24/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,25).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide?
N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 367.41 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 35362853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).