diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride

C17H28ClN3O3 — CID 15944

IUPACdiethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride
SMILESCC[NH+](CC)CCNC(=O)c1ccccc1NC(=O)OC(C)C.[Cl-]
InChIInChI=1S/C17H27N3O3.ClH/c1-5-20(6-2)12-11-18-16(21)14-9-7-8-10-15(14)19-17(22)23-13(3)4;/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,22);1H
InChIKeyALMHGUKWIOQXHX-UHFFFAOYSA-N
MW357.88 g/mol
LogP-1.70
Rot. Bonds8

About diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride

diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride (PubChem CID 15944) has the molecular formula C17H28ClN3O3 and a molecular weight of 357.88 g/mol. Its IUPAC name is diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride
PubChem CID15944
Molecular FormulaC17H28ClN3O3
Molecular Weight357.88 g/mol
Exact Mass357.18
IUPAC Namediethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride
SMILESCC[NH+](CC)CCNC(=O)c1ccccc1NC(=O)OC(C)C.[Cl-]
InChIInChI=1S/C17H27N3O3.ClH/c1-5-20(6-2)12-11-18-16(21)14-9-7-8-10-15(14)19-17(22)23-13(3)4;/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,22);1H
InChIKeyALMHGUKWIOQXHX-UHFFFAOYSA-N
XLogP-1.70
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-benzamidobenzoyl)amino]ethyl-diethylazanium
CID 2221445
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride
CID 20787015
2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450456
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 30548525
2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660374
2-[[(2S)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660375
2-[(4-propan-2-yloxybenzoyl)amino]-N-propylbenzamide
CID 4951942
2-(ethylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450457
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114897363
tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
CID 65143006

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride?
The IUPAC name of diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride (CID 15944) is diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride?
The canonical SMILES for diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride is CC[NH+](CC)CCNC(=O)c1ccccc1NC(=O)OC(C)C.[Cl-].
What is the InChIKey of diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride?
The InChIKey is ALMHGUKWIOQXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.ClH/c1-5-20(6-2)12-11-18-16(21)14-9-7-8-10-15(14)19-17(22)23-13(3)4;/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,22);1H.
What are the key properties of diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride?
diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride has a molecular weight of 357.88 g/mol, XLogP of -1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[[2-(propan-2-yloxycarbonylamino)benzoyl]amino]ethyl]azanium chloride is sourced from PubChem (CID 15944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).