N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide

C20H34N4O3S — CID 4068648

IUPACN-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)Nc1nccs1
InChIInChI=1S/C20H34N4O3S/c1-2-3-4-5-6-7-8-19(26)24(11-10-23-12-14-27-15-13-23)17-18(25)22-20-21-9-16-28-20/h9,16H,2-8,10-15,17H2,1H3,(H,21,22,25)
InChIKeyCGJWKHDMZIUCLY-UHFFFAOYSA-N
MW410.58 g/mol
LogP2.99
Rot. Bonds13

About N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide

N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide (PubChem CID 4068648) has the molecular formula C20H34N4O3S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide
PubChem CID4068648
Molecular FormulaC20H34N4O3S
Molecular Weight410.58 g/mol
Exact Mass410.24
IUPAC NameN-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)Nc1nccs1
InChIInChI=1S/C20H34N4O3S/c1-2-3-4-5-6-7-8-19(26)24(11-10-23-12-14-27-15-13-23)17-18(25)22-20-21-9-16-28-20/h9,16H,2-8,10-15,17H2,1H3,(H,21,22,25)
InChIKeyCGJWKHDMZIUCLY-UHFFFAOYSA-N
XLogP2.99
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
CID 5169244
N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 42769972
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 5007579
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
CID 5085333
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 4582164
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
CID 3897940
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
CID 3880529
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide (CID 4068648) is N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide is CCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)Nc1nccs1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide?
The InChIKey is CGJWKHDMZIUCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3S/c1-2-3-4-5-6-7-8-19(26)24(11-10-23-12-14-27-15-13-23)17-18(25)22-20-21-9-16-28-20/h9,16H,2-8,10-15,17H2,1H3,(H,21,22,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide?
N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide has a molecular weight of 410.58 g/mol, XLogP of 2.99, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide is sourced from PubChem (CID 4068648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).