[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate

C19H19N5O3 — CID 24978796

IUPAC[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
SMILESCCc1ccc(NC(=O)C(C)OC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C19H19N5O3/c1-3-14-4-8-16(9-5-14)21-18(25)13(2)27-19(26)15-6-10-17(11-7-15)24-12-20-22-23-24/h4-13H,3H2,1-2H3,(H,21,25)
InChIKeyADIDBYICNOHKME-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.41
Rot. Bonds6

About [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate

[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate (PubChem CID 24978796) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
PubChem CID24978796
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
SMILESCCc1ccc(NC(=O)C(C)OC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C19H19N5O3/c1-3-14-4-8-16(9-5-14)21-18(25)13(2)27-19(26)15-6-10-17(11-7-15)24-12-20-22-23-24/h4-13H,3H2,1-2H3,(H,21,25)
InChIKeyADIDBYICNOHKME-UHFFFAOYSA-N
XLogP2.41
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571257
[2-(4-Bromophenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665130
Propan-2-yl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 9503432
[2-(5-Chloro-2-fluoroanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 9509566
Ethyl 4-(1-phenyl-1H-1,2,4-triazole-3-amido)benzoate
CID 15990130
[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

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate (CID 24978796) is [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate is CCc1ccc(NC(=O)C(C)OC(=O)c2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is ADIDBYICNOHKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-3-14-4-8-16(9-5-14)21-18(25)13(2)27-19(26)15-6-10-17(11-7-15)24-12-20-22-23-24/h4-13H,3H2,1-2H3,(H,21,25).
What are the key properties of [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 365.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 24978796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).