N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

C23H28N4O2 — CID 110428231

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)CC(c2ccccc2)c2nnc(C)o2)c(C)c1
InChIInChI=1S/C23H28N4O2/c1-5-27(6-2)19-12-13-21(16(3)14-19)24-22(28)15-20(18-10-8-7-9-11-18)23-26-25-17(4)29-23/h7-14,20H,5-6,15H2,1-4H3,(H,24,28)
InChIKeyQIZNCJUIGFQMHV-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.69
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (PubChem CID 110428231) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
PubChem CID110428231
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)CC(c2ccccc2)c2nnc(C)o2)c(C)c1
InChIInChI=1S/C23H28N4O2/c1-5-27(6-2)19-12-13-21(16(3)14-19)24-22(28)15-20(18-10-8-7-9-11-18)23-26-25-17(4)29-23/h7-14,20H,5-6,15H2,1-4H3,(H,24,28)
InChIKeyQIZNCJUIGFQMHV-UHFFFAOYSA-N
XLogP4.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110420004
N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110422172
N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110428980
N-[4-(diethylamino)-2-methylphenyl]-3-(1-phenylethylamino)propanamide
CID 109020375
N-(3,5-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110427670
N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide
CID 108946023
N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110421688
methyl 4-chloro-3-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424464
N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529438
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
methyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424323

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (CID 110428231) is N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is CCN(CC)c1ccc(NC(=O)CC(c2ccccc2)c2nnc(C)o2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The InChIKey is QIZNCJUIGFQMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-5-27(6-2)19-12-13-21(16(3)14-19)24-22(28)15-20(18-10-8-7-9-11-18)23-26-25-17(4)29-23/h7-14,20H,5-6,15H2,1-4H3,(H,24,28).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide has a molecular weight of 392.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 110428231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).