propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate

C20H21N5O3 — CID 74661614

IUPACpropyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C20H21N5O3/c1-2-12-28-20(27)16-8-10-17(11-9-16)22-19(26)18(25-14-21-23-24-25)13-15-6-4-3-5-7-15/h3-11,14,18H,2,12-13H2,1H3,(H,22,26)
InChIKeyYAVPUXXVYBKRFO-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.66
Rot. Bonds8

About propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate

propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate (PubChem CID 74661614) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate
PubChem CID74661614
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Namepropyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C20H21N5O3/c1-2-12-28-20(27)16-8-10-17(11-9-16)22-19(26)18(25-14-21-23-24-25)13-15-6-4-3-5-7-15/h3-11,14,18H,2,12-13H2,1H3,(H,22,26)
InChIKeyYAVPUXXVYBKRFO-UHFFFAOYSA-N
XLogP2.66
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 24669149
(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51981117
3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 171132478
ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 75356958
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229017
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 75488929
methyl 2-[[(2S)-3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-5-propyl-1,3-thiazole-4-carboxylate
CID 75490660
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 125431705
N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51231474
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 23375160

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate?
The IUPAC name of propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate (CID 74661614) is propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate?
The canonical SMILES for propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)C(Cc2ccccc2)n2cnnn2)cc1.
What is the InChIKey of propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate?
The InChIKey is YAVPUXXVYBKRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-12-28-20(27)16-8-10-17(11-9-16)22-19(26)18(25-14-21-23-24-25)13-15-6-4-3-5-7-15/h3-11,14,18H,2,12-13H2,1H3,(H,22,26).
What are the key properties of propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate?
propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate has a molecular weight of 379.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate is sourced from PubChem (CID 74661614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).