2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide

C18H19N5O2 — CID 17011478

IUPAC2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(-n3cnnn3)cc2)c1C
InChIInChI=1S/C18H19N5O2/c1-12-5-4-6-17(13(12)2)25-14(3)18(24)20-15-7-9-16(10-8-15)23-11-19-21-22-23/h4-11,14H,1-3H3,(H,20,24)
InChIKeyGTQKLAQZNSJAFO-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.69
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide

2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 17011478) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID17011478
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(-n3cnnn3)cc2)c1C
InChIInChI=1S/C18H19N5O2/c1-12-5-4-6-17(13(12)2)25-14(3)18(24)20-15-7-9-16(10-8-15)23-11-19-21-22-23/h4-11,14H,1-3H3,(H,20,24)
InChIKeyGTQKLAQZNSJAFO-UHFFFAOYSA-N
XLogP2.69
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 26820827
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 20894851
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705781
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 38925558
(2S)-2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 38925563
(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 91204947
(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 99956563
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 25469917
N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide (CID 17011478) is 2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide is Cc1cccc(OC(C)C(=O)Nc2ccc(-n3cnnn3)cc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is GTQKLAQZNSJAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-5-4-6-17(13(12)2)25-14(3)18(24)20-15-7-9-16(10-8-15)23-11-19-21-22-23/h4-11,14H,1-3H3,(H,20,24).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide?
2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 17011478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).