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

C17H21N5O3 — CID 7399621

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
SMILESO=C(COC(=O)c1ccccc1-n1cnnn1)NCC1CCCCC1
InChIInChI=1S/C17H21N5O3/c23-16(18-10-13-6-2-1-3-7-13)11-25-17(24)14-8-4-5-9-15(14)22-12-19-20-21-22/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,23)
InChIKeyIBZFKCFIOLXDLQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.52
Rot. Bonds6

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

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate (PubChem CID 7399621) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
PubChem CID7399621
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
SMILESO=C(COC(=O)c1ccccc1-n1cnnn1)NCC1CCCCC1
InChIInChI=1S/C17H21N5O3/c23-16(18-10-13-6-2-1-3-7-13)11-25-17(24)14-8-4-5-9-15(14)22-12-19-20-21-22/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,23)
InChIKeyIBZFKCFIOLXDLQ-UHFFFAOYSA-N
XLogP1.52
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399330
[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399359
[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-(3-iodoanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 30563396
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399552
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572727
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
(2-bromophenyl)methyl 2-(tetrazol-1-yl)benzoate
CID 7399609
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516705
methyl 5-[[2-(tetrazol-1-yl)benzoyl]oxymethyl]furan-2-carboxylate
CID 7399392
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-fluorobenzoate
CID 8612564

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate (CID 7399621) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate is O=C(COC(=O)c1ccccc1-n1cnnn1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The InChIKey is IBZFKCFIOLXDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-16(18-10-13-6-2-1-3-7-13)11-25-17(24)14-8-4-5-9-15(14)22-12-19-20-21-22/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,23).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate has a molecular weight of 343.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 7399621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).