N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide

C23H27N5O3 — CID 56519450

IUPACN-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C23H27N5O3/c1-5-16-8-6-7-9-19(16)25-20(29)14-28(4)23(30)24-18-12-10-17(11-13-18)22-26-21(15(2)3)27-31-22/h6-13,15H,5,14H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyYJEJTHIKJVQWSK-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.52
Rot. Bonds7

About N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide

N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide (PubChem CID 56519450) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide
PubChem CID56519450
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C23H27N5O3/c1-5-16-8-6-7-9-19(16)25-20(29)14-28(4)23(30)24-18-12-10-17(11-13-18)22-26-21(15(2)3)27-31-22/h6-13,15H,5,14H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyYJEJTHIKJVQWSK-UHFFFAOYSA-N
XLogP4.52
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide (CID 56519450) is N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide is CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1.
What is the InChIKey of N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide?
The InChIKey is YJEJTHIKJVQWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-5-16-8-6-7-9-19(16)25-20(29)14-28(4)23(30)24-18-12-10-17(11-13-18)22-26-21(15(2)3)27-31-22/h6-13,15H,5,14H2,1-4H3,(H,24,30)(H,25,29).
What are the key properties of N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide?
N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide has a molecular weight of 421.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[methyl-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]amino]acetamide is sourced from PubChem (CID 56519450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).