2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

C12H15N5O2 — CID 60929573

IUPAC2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C12H15N5O2/c1-8(11-14-16-17-15-11)13-12(18)9(2)19-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyYLDSULRXLZNUFE-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.84
Rot. Bonds5

About 2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 60929573) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID60929573
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C12H15N5O2/c1-8(11-14-16-17-15-11)13-12(18)9(2)19-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyYLDSULRXLZNUFE-UHFFFAOYSA-N
XLogP0.84
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62920337
(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
3,3-dimethyl-2-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]butanoic acid
CID 116537012
2-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62248741
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 133220210

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (CID 60929573) is 2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is CC(Oc1ccccc1)C(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of 2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is YLDSULRXLZNUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(11-14-16-17-15-11)13-12(18)9(2)19-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 261.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 60929573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).