N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide

C35H50N2O2 — CID 10554232

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide
SMILESCCCCCCCCCCCCc1cc(C(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)on1
InChIInChI=1S/C35H50N2O2/c1-6-7-8-9-10-11-12-13-14-18-22-29-25-32(39-37-29)33(28-20-16-15-17-21-28)35(38)36-34-30(26(2)3)23-19-24-31(34)27(4)5/h15-17,19-21,23-27,33H,6-14,18,22H2,1-5H3,(H,36,38)
InChIKeyUHYMJXLLIFFCJR-UHFFFAOYSA-N
MW530.80 g/mol
LogP10.16
Rot. Bonds17

About N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide (PubChem CID 10554232) has the molecular formula C35H50N2O2 and a molecular weight of 530.80 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide
PubChem CID10554232
Molecular FormulaC35H50N2O2
Molecular Weight530.80 g/mol
Exact Mass530.39
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide
SMILESCCCCCCCCCCCCc1cc(C(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)on1
InChIInChI=1S/C35H50N2O2/c1-6-7-8-9-10-11-12-13-14-18-22-29-25-32(39-37-29)33(28-20-16-15-17-21-28)35(38)36-34-30(26(2)3)23-19-24-31(34)27(4)5/h15-17,19-21,23-27,33H,6-14,18,22H2,1-5H3,(H,36,38)
InChIKeyUHYMJXLLIFFCJR-UHFFFAOYSA-N
XLogP10.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.80
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide (CID 10554232) is N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide is CCCCCCCCCCCCc1cc(C(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)on1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The InChIKey is UHYMJXLLIFFCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N2O2/c1-6-7-8-9-10-11-12-13-14-18-22-29-25-32(39-37-29)33(28-20-16-15-17-21-28)35(38)36-34-30(26(2)3)23-19-24-31(34)27(4)5/h15-17,19-21,23-27,33H,6-14,18,22H2,1-5H3,(H,36,38).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide has a molecular weight of 530.80 g/mol, XLogP of 10.16, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 10554232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).