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

C19H27N3O3 — CID 87016537

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CN(C)Cc2cc(C)on2)c1
InChIInChI=1S/C19H27N3O3/c1-14-8-15(2)10-18(9-14)24-7-6-22(5)19(23)13-21(4)12-17-11-16(3)25-20-17/h8-11H,6-7,12-13H2,1-5H3
InChIKeyVYXVSJCFSJNENZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.57
Rot. Bonds8

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

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide (PubChem CID 87016537) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
PubChem CID87016537
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CN(C)Cc2cc(C)on2)c1
InChIInChI=1S/C19H27N3O3/c1-14-8-15(2)10-18(9-14)24-7-6-22(5)19(23)13-21(4)12-17-11-16(3)25-20-17/h8-11H,6-7,12-13H2,1-5H3
InChIKeyVYXVSJCFSJNENZ-UHFFFAOYSA-N
XLogP2.57
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide with MolForge

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Related Compounds

2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 99159904
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide
CID 55429915
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate
CID 60676948
2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60504801
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55712379
2-(4-chlorophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714502
2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38878190
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81489998
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide
CID 64892140
2-(4-ethylphenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86929165

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide (CID 87016537) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide is Cc1cc(C)cc(OCCN(C)C(=O)CN(C)Cc2cc(C)on2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?
The InChIKey is VYXVSJCFSJNENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-8-15(2)10-18(9-14)24-7-6-22(5)19(23)13-21(4)12-17-11-16(3)25-20-17/h8-11H,6-7,12-13H2,1-5H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide is sourced from PubChem (CID 87016537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).