2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide

C18H24N2O2S — CID 110446423

IUPAC2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCCCc2nc(C)cs2)cc1
InChIInChI=1S/C18H24N2O2S/c1-13-12-23-16(20-13)6-5-11-19-17(21)18(2,3)14-7-9-15(22-4)10-8-14/h7-10,12H,5-6,11H2,1-4H3,(H,19,21)
InChIKeyHKKMSJQCPMDEBH-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.49
Rot. Bonds7

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

2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 110446423) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
PubChem CID110446423
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCCCc2nc(C)cs2)cc1
InChIInChI=1S/C18H24N2O2S/c1-13-12-23-16(20-13)6-5-11-19-17(21)18(2,3)14-7-9-15(22-4)10-8-14/h7-10,12H,5-6,11H2,1-4H3,(H,19,21)
InChIKeyHKKMSJQCPMDEBH-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 110451544
N-(2-acetamidoethyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110437825
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198054
2-(4-chlorophenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110442694
2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110443309
(2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide
CID 125176822
2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 110437822
2-(4-methoxyphenyl)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110446439
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111480767
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of 2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (CID 110446423) is 2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is COc1ccc(C(C)(C)C(=O)NCCCc2nc(C)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is HKKMSJQCPMDEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13-12-23-16(20-13)6-5-11-19-17(21)18(2,3)14-7-9-15(22-4)10-8-14/h7-10,12H,5-6,11H2,1-4H3,(H,19,21).
What are the key properties of 2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 332.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 110446423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).