N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide

C23H21N5O3 — CID 154861700

IUPACN-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOc2ccccc2-c2ccccc2)cc1-n1cnnn1
InChIInChI=1S/C23H21N5O3/c1-30-22-12-11-18(15-20(22)28-16-24-26-27-28)25-23(29)13-14-31-21-10-6-5-9-19(21)17-7-3-2-4-8-17/h2-12,15-16H,13-14H2,1H3,(H,25,29)
InChIKeyYSTLDNQYVNOKJJ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.75
Rot. Bonds8

About N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide

N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide (PubChem CID 154861700) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide
PubChem CID154861700
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOc2ccccc2-c2ccccc2)cc1-n1cnnn1
InChIInChI=1S/C23H21N5O3/c1-30-22-12-11-18(15-20(22)28-16-24-26-27-28)25-23(29)13-14-31-21-10-6-5-9-19(21)17-7-3-2-4-8-17/h2-12,15-16H,13-14H2,1H3,(H,25,29)
InChIKeyYSTLDNQYVNOKJJ-UHFFFAOYSA-N
XLogP3.75
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 167966168
3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45494122
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798049
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45493492
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 119798058
2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 86207096
N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 154635315
N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide
CID 38736892
(2S)-2-amino-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119798054

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide?
The IUPAC name of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide (CID 154861700) is N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide.
What is the SMILES notation for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide?
The canonical SMILES for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide is COc1ccc(NC(=O)CCOc2ccccc2-c2ccccc2)cc1-n1cnnn1.
What is the InChIKey of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide?
The InChIKey is YSTLDNQYVNOKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-30-22-12-11-18(15-20(22)28-16-24-26-27-28)25-23(29)13-14-31-21-10-6-5-9-19(21)17-7-3-2-4-8-17/h2-12,15-16H,13-14H2,1H3,(H,25,29).
What are the key properties of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide?
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide has a molecular weight of 415.45 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide is sourced from PubChem (CID 154861700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).