[1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate

C18H17N5O3 — CID 17480654

IUPAC[1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
SMILESCC(OC(=O)c1cccc(-n2cnnn2)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H17N5O3/c1-13(17(24)19-11-14-6-3-2-4-7-14)26-18(25)15-8-5-9-16(10-15)23-12-20-21-22-23/h2-10,12-13H,11H2,1H3,(H,19,24)
InChIKeyZJRMMTLHSYWNFH-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.52
Rot. Bonds6

About [1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate

[1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate (PubChem CID 17480654) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is [1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
PubChem CID17480654
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name[1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
SMILESCC(OC(=O)c1cccc(-n2cnnn2)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H17N5O3/c1-13(17(24)19-11-14-6-3-2-4-7-14)26-18(25)15-8-5-9-16(10-15)23-12-20-21-22-23/h2-10,12-13H,11H2,1H3,(H,19,24)
InChIKeyZJRMMTLHSYWNFH-UHFFFAOYSA-N
XLogP1.52
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-(1H-tetrazol-1-yl)phenyl)-3-methyl-1-oxoisochroman-3-carboxamide
CID 16288555
Ethyl 3-[[4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 2355810
Methyl 3-(1H-tetrazol-1-yl)benzoate
CID 830989
ethyl 4-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}amino)benzoate
CID 1259832
[2-(Naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535914
Propan-2-yl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 9503432
2-(4-Fluorophenyl)-2-oxoethyl 3-(1H-tetrazol-1-yl)benzoate
CID 16514762
[1-(3-Acetylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 16615029
[1-(2-Chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 18080237
[1-(3-Chloroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 18080722
[1-(2-Fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 25162093
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(tetrazol-1-yl)benzoate
CID 135697682

Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate?
The IUPAC name of [1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate (CID 17480654) is [1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for [1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate is CC(OC(=O)c1cccc(-n2cnnn2)c1)C(=O)NCc1ccccc1.
What is the InChIKey of [1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate?
The InChIKey is ZJRMMTLHSYWNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-13(17(24)19-11-14-6-3-2-4-7-14)26-18(25)15-8-5-9-16(10-15)23-12-20-21-22-23/h2-10,12-13H,11H2,1H3,(H,19,24).
What are the key properties of [1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate?
[1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate has a molecular weight of 351.37 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 [1-(benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 17480654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).