diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium

C20H27N2O+ — CID 7029075

IUPACdiethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium
SMILESCC[NH+](CC)CCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-3-22(4-2)16-8-15-21-20(23)19-13-11-18(12-14-19)17-9-6-5-7-10-17/h5-7,9-14H,3-4,8,15-16H2,1-2H3,(H,21,23)/p+1
InChIKeyVCNQOEOESSSEOA-UHFFFAOYSA-O
MW311.45 g/mol
LogP2.40
Rot. Bonds8

About diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium

diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium (PubChem CID 7029075) has the molecular formula C20H27N2O+ and a molecular weight of 311.45 g/mol. Its IUPAC name is diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium.

Molecular Properties

Compound Namediethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium
PubChem CID7029075
Molecular FormulaC20H27N2O+
Molecular Weight311.45 g/mol
Exact Mass311.21
IUPAC Namediethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium
SMILESCC[NH+](CC)CCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-3-22(4-2)16-8-15-21-20(23)19-13-11-18(12-14-19)17-9-6-5-7-10-17/h5-7,9-14H,3-4,8,15-16H2,1-2H3,(H,21,23)/p+1
InChIKeyVCNQOEOESSSEOA-UHFFFAOYSA-O
XLogP2.40
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-phenylbenzamide
CID 3637649
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
3-[(4-acetyloxybenzoyl)amino]propyl-diethylazanium
CID 7276859
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
3-[[4-[3-(dimethylazaniumyl)propylcarbamoyl]benzoyl]amino]propyl-dimethylazanium
CID 2164611
3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride
CID 20787024
diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium
CID 8010632
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
CID 121062289
N-(3-benzylsulfonylpropyl)-4-phenylbenzamide
CID 55842064
benzyl-[3-[(4-bromobenzoyl)amino]propyl]-methylazanium
CID 9049338

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium?
The IUPAC name of diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium (CID 7029075) is diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium.
What is the SMILES notation for diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium?
The canonical SMILES for diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium is CC[NH+](CC)CCCNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium?
The InChIKey is VCNQOEOESSSEOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O/c1-3-22(4-2)16-8-15-21-20(23)19-13-11-18(12-14-19)17-9-6-5-7-10-17/h5-7,9-14H,3-4,8,15-16H2,1-2H3,(H,21,23)/p+1.
What are the key properties of diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium?
diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium has a molecular weight of 311.45 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium is sourced from PubChem (CID 7029075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).