diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium

C21H28N3O2+ — CID 8010632

IUPACdiethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-3-24(4-2)15-14-22-21(26)18-10-12-19(13-11-18)23-20(25)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,26)(H,23,25)/p+1
InChIKeyHPCJAIWJCGMQJS-UHFFFAOYSA-O
MW354.47 g/mol
LogP1.52
Rot. Bonds9

About diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium

diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium (PubChem CID 8010632) has the molecular formula C21H28N3O2+ and a molecular weight of 354.47 g/mol. Its IUPAC name is diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium
PubChem CID8010632
Molecular FormulaC21H28N3O2+
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC Namediethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-3-24(4-2)15-14-22-21(26)18-10-12-19(13-11-18)23-20(25)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,26)(H,23,25)/p+1
InChIKeyHPCJAIWJCGMQJS-UHFFFAOYSA-O
XLogP1.52
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium
CID 9463870
2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium
CID 7981738
diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 7972960
N-[2-(4-fluorophenyl)ethyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119562
N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062816
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide
CID 54795720
diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium
CID 2408819
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium
CID 7029075
2-[(2-benzamidobenzoyl)amino]ethyl-diethylazanium
CID 2221445

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium?
The IUPAC name of diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium (CID 8010632) is diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium is CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium?
The InChIKey is HPCJAIWJCGMQJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N3O2/c1-3-24(4-2)15-14-22-21(26)18-10-12-19(13-11-18)23-20(25)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,26)(H,23,25)/p+1.
What are the key properties of diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium?
diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium has a molecular weight of 354.47 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium is sourced from PubChem (CID 8010632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).