N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide

C28H39N3O3S — CID 139965399

IUPACN-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide
SMILESCNCCCCCCN(C)C(=O)CC1CSCN1C(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H39N3O3S/c1-29-16-8-3-4-9-17-30(2)27(32)19-25-21-35-22-31(25)28(33)18-23-12-14-26(15-13-23)34-20-24-10-6-5-7-11-24/h5-7,10-15,25,29H,3-4,8-9,16-22H2,1-2H3
InChIKeyUMSPGLPHKGWWDA-UHFFFAOYSA-N
MW497.71 g/mol
LogP4.34
Rot. Bonds14

About N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide

N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide (PubChem CID 139965399) has the molecular formula C28H39N3O3S and a molecular weight of 497.71 g/mol. Its IUPAC name is N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide
PubChem CID139965399
Molecular FormulaC28H39N3O3S
Molecular Weight497.71 g/mol
Exact Mass497.27
IUPAC NameN-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide
SMILESCNCCCCCCN(C)C(=O)CC1CSCN1C(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H39N3O3S/c1-29-16-8-3-4-9-17-30(2)27(32)19-25-21-35-22-31(25)28(33)18-23-12-14-26(15-13-23)34-20-24-10-6-5-7-11-24/h5-7,10-15,25,29H,3-4,8-9,16-22H2,1-2H3
InChIKeyUMSPGLPHKGWWDA-UHFFFAOYSA-N
XLogP4.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.71
LogP ≤ 54.34
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-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide
CID 139965376
N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide;ethane
CID 143396477
N-(5-aminopentyl)-2-[2-(4-phenylmethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10277828
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
CID 119735749
2-[4-(4-phenylmethoxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 119210082
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
2-[4-[4-(phenoxymethyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210867
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide
CID 139965418
benzyl 2-[6-(methylamino)hexyl-(2-oxo-2-phenylmethoxyethyl)amino]acetate
CID 59502420
(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95206426

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide?
The IUPAC name of N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide (CID 139965399) is N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide is CNCCCCCCN(C)C(=O)CC1CSCN1C(=O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide?
The InChIKey is UMSPGLPHKGWWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3S/c1-29-16-8-3-4-9-17-30(2)27(32)19-25-21-35-22-31(25)28(33)18-23-12-14-26(15-13-23)34-20-24-10-6-5-7-11-24/h5-7,10-15,25,29H,3-4,8-9,16-22H2,1-2H3.
What are the key properties of N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide?
N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide has a molecular weight of 497.71 g/mol, XLogP of 4.34, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[6-(methylamino)hexyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide is sourced from PubChem (CID 139965399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).