[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate

C14H14N6O4 — CID 7399399

IUPAC[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate
SMILESC=CCNC(=O)NC(=O)COC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C14H14N6O4/c1-2-7-15-14(23)17-12(21)8-24-13(22)10-5-3-4-6-11(10)20-9-16-18-19-20/h2-6,9H,1,7-8H2,(H2,15,17,21,23)
InChIKeyDRGIVFDNSRFSQZ-UHFFFAOYSA-N
MW330.30 g/mol
LogP-0.17
Rot. Bonds6

About [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate (PubChem CID 7399399) has the molecular formula C14H14N6O4 and a molecular weight of 330.30 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate
PubChem CID7399399
Molecular FormulaC14H14N6O4
Molecular Weight330.30 g/mol
Exact Mass330.11
IUPAC Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate
SMILESC=CCNC(=O)NC(=O)COC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C14H14N6O4/c1-2-7-15-14(23)17-12(21)8-24-13(22)10-5-3-4-6-11(10)20-9-16-18-19-20/h2-6,9H,1,7-8H2,(H2,15,17,21,23)
InChIKeyDRGIVFDNSRFSQZ-UHFFFAOYSA-N
XLogP-0.17
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399330
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399528
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399621
[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399359
[2-(3-iodoanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 30563396
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2079481
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399552
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7540380
(2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate
CID 7399609
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-chlorobenzoate
CID 2628119
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-iodobenzoate
CID 2628667
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2,4-difluorobenzoate
CID 2630450

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate (CID 7399399) is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate is C=CCNC(=O)NC(=O)COC(=O)c1ccccc1-n1cnnn1.
What is the InChIKey of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate?
The InChIKey is DRGIVFDNSRFSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O4/c1-2-7-15-14(23)17-12(21)8-24-13(22)10-5-3-4-6-11(10)20-9-16-18-19-20/h2-6,9H,1,7-8H2,(H2,15,17,21,23).
What are the key properties of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate?
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate has a molecular weight of 330.30 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 7399399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).