N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide

C17H29N3O4 — CID 5176062

IUPACN-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCOC)CC(=O)Nc1ccon1
InChIInChI=1S/C17H29N3O4/c1-3-4-5-6-7-8-9-17(22)20(11-13-23-2)14-16(21)18-15-10-12-24-19-15/h10,12H,3-9,11,13-14H2,1-2H3,(H,18,19,21)
InChIKeyCEESRIHWCMLNFT-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.84
Rot. Bonds13

About N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide

N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide (PubChem CID 5176062) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
PubChem CID5176062
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC NameN-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCOC)CC(=O)Nc1ccon1
InChIInChI=1S/C17H29N3O4/c1-3-4-5-6-7-8-9-17(22)20(11-13-23-2)14-16(21)18-15-10-12-24-19-15/h10,12H,3-9,11,13-14H2,1-2H3,(H,18,19,21)
InChIKeyCEESRIHWCMLNFT-UHFFFAOYSA-N
XLogP2.84
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.84
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-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]pentanamide
CID 42769137
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]hexanamide
CID 4080850
methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 4017704
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
CID 42769068
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 4582164
N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 3517609
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]tetradecanamide
CID 98397526

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide (CID 5176062) is N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide is CCCCCCCCC(=O)N(CCOC)CC(=O)Nc1ccon1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide?
The InChIKey is CEESRIHWCMLNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-3-4-5-6-7-8-9-17(22)20(11-13-23-2)14-16(21)18-15-10-12-24-19-15/h10,12H,3-9,11,13-14H2,1-2H3,(H,18,19,21).
What are the key properties of N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide?
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide has a molecular weight of 339.44 g/mol, XLogP of 2.84, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide is sourced from PubChem (CID 5176062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).