N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide

C24H36N2O2S — CID 168720733

IUPACN-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide
SMILESCCCc1ccc(CCCCCCCCC(=O)N(CCO)Cc2nccs2)cc1
InChIInChI=1S/C24H36N2O2S/c1-2-9-21-12-14-22(15-13-21)10-7-5-3-4-6-8-11-24(28)26(17-18-27)20-23-25-16-19-29-23/h12-16,19,27H,2-11,17-18,20H2,1H3
InChIKeyVOSSLZOZJAGIGH-UHFFFAOYSA-N
MW416.63 g/mol
LogP5.39
Rot. Bonds15

About N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide

N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide (PubChem CID 168720733) has the molecular formula C24H36N2O2S and a molecular weight of 416.63 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide
PubChem CID168720733
Molecular FormulaC24H36N2O2S
Molecular Weight416.63 g/mol
Exact Mass416.25
IUPAC NameN-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide
SMILESCCCc1ccc(CCCCCCCCC(=O)N(CCO)Cc2nccs2)cc1
InChIInChI=1S/C24H36N2O2S/c1-2-9-21-12-14-22(15-13-21)10-7-5-3-4-6-8-11-24(28)26(17-18-27)20-23-25-16-19-29-23/h12-16,19,27H,2-11,17-18,20H2,1H3
InChIKeyVOSSLZOZJAGIGH-UHFFFAOYSA-N
XLogP5.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.63
LogP ≤ 55.39
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

4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 56906564
propyl(1,3-thiazol-2-ylmethyl)carbamic acid
CID 69435143
2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 74245531
N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 97197758
N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 42780816
1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 162459036
N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 60702090
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859
4-(4-propylphenyl)butan-1-ol
CID 10511962
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide
CID 135112894
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide?
The IUPAC name of N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide (CID 168720733) is N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide?
The canonical SMILES for N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide is CCCc1ccc(CCCCCCCCC(=O)N(CCO)Cc2nccs2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide?
The InChIKey is VOSSLZOZJAGIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2S/c1-2-9-21-12-14-22(15-13-21)10-7-5-3-4-6-8-11-24(28)26(17-18-27)20-23-25-16-19-29-23/h12-16,19,27H,2-11,17-18,20H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide?
N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide has a molecular weight of 416.63 g/mol, XLogP of 5.39, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide is sourced from PubChem (CID 168720733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).