[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate

C18H16N6O4 — CID 7399330

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
SMILESO=C(COC(=O)c1ccccc1-n1cnnn1)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H16N6O4/c25-16(21-18(27)19-10-13-6-2-1-3-7-13)11-28-17(26)14-8-4-5-9-15(14)24-12-20-22-23-24/h1-9,12H,10-11H2,(H2,19,21,25,27)
InChIKeyKKXMJHQYKAKCGH-UHFFFAOYSA-N
MW380.36 g/mol
LogP0.85
Rot. Bonds6

About [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate (PubChem CID 7399330) has the molecular formula C18H16N6O4 and a molecular weight of 380.36 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
PubChem CID7399330
Molecular FormulaC18H16N6O4
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
SMILESO=C(COC(=O)c1ccccc1-n1cnnn1)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H16N6O4/c25-16(21-18(27)19-10-13-6-2-1-3-7-13)11-28-17(26)14-8-4-5-9-15(14)24-12-20-22-23-24/h1-9,12H,10-11H2,(H2,19,21,25,27)
InChIKeyKKXMJHQYKAKCGH-UHFFFAOYSA-N
XLogP0.85
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate
CID 7399399
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399528
2-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399621
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509496
[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399359
[2-(3-iodoanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 30563396
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399552
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2092965
(2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate
CID 7399609
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate (CID 7399330) is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate is O=C(COC(=O)c1ccccc1-n1cnnn1)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The InChIKey is KKXMJHQYKAKCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O4/c25-16(21-18(27)19-10-13-6-2-1-3-7-13)11-28-17(26)14-8-4-5-9-15(14)24-12-20-22-23-24/h1-9,12H,10-11H2,(H2,19,21,25,27).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate has a molecular weight of 380.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 7399330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).