2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

C16H20N2O3S — CID 110443309

IUPAC2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCCc1nc(C)cs1
InChIInChI=1S/C16H20N2O3S/c1-12-11-22-16(18-12)8-5-9-17-15(19)10-21-14-7-4-3-6-13(14)20-2/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)
InChIKeyDPMRXAXBGYSFGA-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.59
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 110443309) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
PubChem CID110443309
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCCc1nc(C)cs1
InChIInChI=1S/C16H20N2O3S/c1-12-11-22-16(18-12)8-5-9-17-15(19)10-21-14-7-4-3-6-13(14)20-2/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)
InChIKeyDPMRXAXBGYSFGA-UHFFFAOYSA-N
XLogP2.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110442694
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 110393578
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
2-(2-methoxyphenoxy)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110443308
(2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide
CID 125176822
2-(2-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 87041322
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111218168
2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547664
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (CID 110443309) is 2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is COc1ccccc1OCC(=O)NCCCc1nc(C)cs1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is DPMRXAXBGYSFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-11-22-16(18-12)8-5-9-17-15(19)10-21-14-7-4-3-6-13(14)20-2/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 320.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 110443309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).