N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide

C18H31N3O3S — CID 5169244

IUPACN-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
SMILESCCCCCCCC(=O)N(CCCOCC)CC(=O)Nc1nccs1
InChIInChI=1S/C18H31N3O3S/c1-3-5-6-7-8-10-17(23)21(12-9-13-24-4-2)15-16(22)20-18-19-11-14-25-18/h11,14H,3-10,12-13,15H2,1-2H3,(H,19,20,22)
InChIKeyKLCPPXUJZCGPDN-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.70
Rot. Bonds14

About N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide

N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide (PubChem CID 5169244) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
PubChem CID5169244
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
SMILESCCCCCCCC(=O)N(CCCOCC)CC(=O)Nc1nccs1
InChIInChI=1S/C18H31N3O3S/c1-3-5-6-7-8-10-17(23)21(12-9-13-24-4-2)15-16(22)20-18-19-11-14-25-18/h11,14H,3-10,12-13,15H2,1-2H3,(H,19,20,22)
InChIKeyKLCPPXUJZCGPDN-UHFFFAOYSA-N
XLogP3.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.70
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-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
CID 3557830
3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771464
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860
N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide
CID 4068648
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
CID 5085333
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]hexanamide
CID 4080850
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 4108317
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3528665

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide?
The IUPAC name of N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide (CID 5169244) is N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide is CCCCCCCC(=O)N(CCCOCC)CC(=O)Nc1nccs1.
What is the InChIKey of N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide?
The InChIKey is KLCPPXUJZCGPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-3-5-6-7-8-10-17(23)21(12-9-13-24-4-2)15-16(22)20-18-19-11-14-25-18/h11,14H,3-10,12-13,15H2,1-2H3,(H,19,20,22).
What are the key properties of N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide?
N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide has a molecular weight of 369.53 g/mol, XLogP of 3.70, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide is sourced from PubChem (CID 5169244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).