N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide

C17H22N2O3S — CID 110398327

IUPACN-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide
SMILESCOCc1nc(CCNC(=O)CCCOc2ccccc2)cs1
InChIInChI=1S/C17H22N2O3S/c1-21-12-17-19-14(13-23-17)9-10-18-16(20)8-5-11-22-15-6-3-2-4-7-15/h2-4,6-7,13H,5,8-12H2,1H3,(H,18,20)
InChIKeyNQTNSZMRJODKGA-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.81
Rot. Bonds10

About N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide

N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide (PubChem CID 110398327) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide
PubChem CID110398327
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide
SMILESCOCc1nc(CCNC(=O)CCCOc2ccccc2)cs1
InChIInChI=1S/C17H22N2O3S/c1-21-12-17-19-14(13-23-17)9-10-18-16(20)8-5-11-22-15-6-3-2-4-7-15/h2-4,6-7,13H,5,8-12H2,1H3,(H,18,20)
InChIKeyNQTNSZMRJODKGA-UHFFFAOYSA-N
XLogP2.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.81
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

N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
CID 110398286
N-[2-(2-hydroxyphenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110620081
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 110397880
4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110398339
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110316414
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenoxybutanamide
CID 31008224
N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110619843
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 51099882
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide (CID 110398327) is N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide is COCc1nc(CCNC(=O)CCCOc2ccccc2)cs1.
What is the InChIKey of N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide?
The InChIKey is NQTNSZMRJODKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-21-12-17-19-14(13-23-17)9-10-18-16(20)8-5-11-22-15-6-3-2-4-7-15/h2-4,6-7,13H,5,8-12H2,1H3,(H,18,20).
What are the key properties of N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide?
N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide has a molecular weight of 334.44 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 110398327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).