N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide

C17H17N5O3 — CID 91204947

IUPACN-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H17N5O3/c1-12(17(23)19-13-6-8-15(24-2)9-7-13)25-16-5-3-4-14(10-16)22-11-18-20-21-22/h3-12H,1-2H3,(H,19,23)
InChIKeyBLWISBGGMFDOOQ-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.08
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide

N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide (PubChem CID 91204947) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
PubChem CID91204947
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H17N5O3/c1-12(17(23)19-13-6-8-15(24-2)9-7-13)25-16-5-3-4-14(10-16)22-11-18-20-21-22/h3-12H,1-2H3,(H,19,23)
InChIKeyBLWISBGGMFDOOQ-UHFFFAOYSA-N
XLogP2.08
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705781
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 25469917
(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705700
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 20894851
(1-anilino-1-oxopropan-2-yl) 3-(tetrazol-1-yl)benzoate
CID 18081042
2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 17011478
(2S)-2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 26820827
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide (CID 91204947) is N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide is COc1ccc(NC(=O)C(C)Oc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The InChIKey is BLWISBGGMFDOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-12(17(23)19-13-6-8-15(24-2)9-7-13)25-16-5-3-4-14(10-16)22-11-18-20-21-22/h3-12H,1-2H3,(H,19,23).
What are the key properties of N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide has a molecular weight of 339.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 91204947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).