N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C17H21N3O4 — CID 108571566

IUPACN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2cc(C)on2)c(C)c1
InChIInChI=1S/C17H21N3O4/c1-11-4-5-15(12(2)8-11)23-10-16(21)18-6-7-19-17(22)14-9-13(3)24-20-14/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyPCAYEDUKFXBWIN-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.52
Rot. Bonds7

About N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 108571566) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID108571566
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2cc(C)on2)c(C)c1
InChIInChI=1S/C17H21N3O4/c1-11-4-5-15(12(2)8-11)23-10-16(21)18-6-7-19-17(22)14-9-13(3)24-20-14/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyPCAYEDUKFXBWIN-UHFFFAOYSA-N
XLogP1.52
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108539406
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108539806
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083319
2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 38427451
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108571580
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 108571566) is N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1ccc(OCC(=O)NCCNC(=O)c2cc(C)on2)c(C)c1.
What is the InChIKey of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is PCAYEDUKFXBWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-4-5-15(12(2)8-11)23-10-16(21)18-6-7-19-17(22)14-9-13(3)24-20-14/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 108571566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).