[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate

C20H19N5O4 — CID 4831935

IUPAC[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate
SMILESCC(=O)C(Cc1ccccc1)NC(=O)COC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H19N5O4/c1-14(26)18(11-15-5-3-2-4-6-15)22-19(27)12-29-20(28)16-7-9-17(10-8-16)25-13-21-23-24-25/h2-10,13,18H,11-12H2,1H3,(H,22,27)
InChIKeyHWOBLNSOASJCOW-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.14
Rot. Bonds8

About [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate

[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate (PubChem CID 4831935) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate
PubChem CID4831935
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate
SMILESCC(=O)C(Cc1ccccc1)NC(=O)COC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H19N5O4/c1-14(26)18(11-15-5-3-2-4-6-15)22-19(27)12-29-20(28)16-7-9-17(10-8-16)25-13-21-23-24-25/h2-10,13,18H,11-12H2,1H3,(H,22,27)
InChIKeyHWOBLNSOASJCOW-UHFFFAOYSA-N
XLogP1.14
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate (CID 4831935) is [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate is CC(=O)C(Cc1ccccc1)NC(=O)COC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is HWOBLNSOASJCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-14(26)18(11-15-5-3-2-4-6-15)22-19(27)12-29-20(28)16-7-9-17(10-8-16)25-13-21-23-24-25/h2-10,13,18H,11-12H2,1H3,(H,22,27).
What are the key properties of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate?
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 393.40 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 4831935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).