N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

C23H28N4O2 — CID 30527770

IUPACN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCc1ccc([C@H](CNC(=O)CCc2nnc(-c3ccccc3)o2)N(C)C)cc1
InChIInChI=1S/C23H28N4O2/c1-4-17-10-12-18(13-11-17)20(27(2)3)16-24-21(28)14-15-22-25-26-23(29-22)19-8-6-5-7-9-19/h5-13,20H,4,14-16H2,1-3H3,(H,24,28)/t20-/m0/s1
InChIKeyMIXLBDRQHYFKED-FQEVSTJZSA-N
MW392.50 g/mol
LogP3.65
Rot. Bonds9

About N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 30527770) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID30527770
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCc1ccc([C@H](CNC(=O)CCc2nnc(-c3ccccc3)o2)N(C)C)cc1
InChIInChI=1S/C23H28N4O2/c1-4-17-10-12-18(13-11-17)20(27(2)3)16-24-21(28)14-15-22-25-26-23(29-22)19-8-6-5-7-9-19/h5-13,20H,4,14-16H2,1-3H3,(H,24,28)/t20-/m0/s1
InChIKeyMIXLBDRQHYFKED-FQEVSTJZSA-N
XLogP3.65
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46447071
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24640199
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 30528420
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 43006465
N-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 17423614
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
CID 46401361
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide
CID 24550486

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 30527770) is N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is CCc1ccc([C@H](CNC(=O)CCc2nnc(-c3ccccc3)o2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is MIXLBDRQHYFKED-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-17-10-12-18(13-11-17)20(27(2)3)16-24-21(28)14-15-22-25-26-23(29-22)19-8-6-5-7-9-19/h5-13,20H,4,14-16H2,1-3H3,(H,24,28)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 30527770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).