2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C18H25N3O3 — CID 46508622

IUPAC2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(C)cc(OCCN(C)C(C)C(=O)Nc2cc(C)no2)c1
InChIInChI=1S/C18H25N3O3/c1-12-8-13(2)10-16(9-12)23-7-6-21(5)15(4)18(22)19-17-11-14(3)20-24-17/h8-11,15H,6-7H2,1-5H3,(H,19,22)
InChIKeyNBTGQFLXCXPEBF-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.94
Rot. Bonds7

About 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 46508622) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID46508622
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(C)cc(OCCN(C)C(C)C(=O)Nc2cc(C)no2)c1
InChIInChI=1S/C18H25N3O3/c1-12-8-13(2)10-16(9-12)23-7-6-21(5)15(4)18(22)19-17-11-14(3)20-24-17/h8-11,15H,6-7H2,1-5H3,(H,19,22)
InChIKeyNBTGQFLXCXPEBF-UHFFFAOYSA-N
XLogP2.94
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[3-(3-methylsulfonylphenoxy)propyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 48941722
(2S)-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 26430195
(2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 36969125
(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94589884
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 71983485
N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 86919247
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42957860
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
N-(2,4-difluorophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094905
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46662497
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 46508622) is 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(C)cc(OCCN(C)C(C)C(=O)Nc2cc(C)no2)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is NBTGQFLXCXPEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-8-13(2)10-16(9-12)23-7-6-21(5)15(4)18(22)19-17-11-14(3)20-24-17/h8-11,15H,6-7H2,1-5H3,(H,19,22).
What are the key properties of 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 46508622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).