3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide

C19H26N2O3S — CID 142452076

IUPAC3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](Cc2cscn2)C(C)C)cc1OC
InChIInChI=1S/C19H26N2O3S/c1-13(2)16(10-15-11-25-12-20-15)21-19(22)8-6-14-5-7-17(23-3)18(9-14)24-4/h5,7,9,11-13,16H,6,8,10H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyPWFCWRJDYJMPJG-INIZCTEOSA-N
MW362.50 g/mol
LogP3.48
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide

3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide (PubChem CID 142452076) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide
PubChem CID142452076
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](Cc2cscn2)C(C)C)cc1OC
InChIInChI=1S/C19H26N2O3S/c1-13(2)16(10-15-11-25-12-20-15)21-19(22)8-6-14-5-7-17(23-3)18(9-14)24-4/h5,7,9,11-13,16H,6,8,10H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyPWFCWRJDYJMPJG-INIZCTEOSA-N
XLogP3.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
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CID 78773055
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
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3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
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CID 42999118
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
N-(1-bromo-3-methylbutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 114316268
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86847757
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide (CID 142452076) is 3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide is COc1ccc(CCC(=O)N[C@@H](Cc2cscn2)C(C)C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide?
The InChIKey is PWFCWRJDYJMPJG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-13(2)16(10-15-11-25-12-20-15)21-19(22)8-6-14-5-7-17(23-3)18(9-14)24-4/h5,7,9,11-13,16H,6,8,10H2,1-4H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide has a molecular weight of 362.50 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide is sourced from PubChem (CID 142452076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).