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

C18H23N3O4 — CID 42769157

IUPACN-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CCOC)CC(=O)Nc1ccon1)c1ccccc1
InChIInChI=1S/C18H23N3O4/c1-3-15(14-7-5-4-6-8-14)18(23)21(10-12-24-2)13-17(22)19-16-9-11-25-20-16/h4-9,11,15H,3,10,12-13H2,1-2H3,(H,19,20,22)
InChIKeyRGXMZFVBPBQHLS-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.28
Rot. Bonds9

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

N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide (PubChem CID 42769157) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide
PubChem CID42769157
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CCOC)CC(=O)Nc1ccon1)c1ccccc1
InChIInChI=1S/C18H23N3O4/c1-3-15(14-7-5-4-6-8-14)18(23)21(10-12-24-2)13-17(22)19-16-9-11-25-20-16/h4-9,11,15H,3,10,12-13H2,1-2H3,(H,19,20,22)
InChIKeyRGXMZFVBPBQHLS-UHFFFAOYSA-N
XLogP2.28
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 3332397
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2,2-diphenyl-N-propylacetamide
CID 42769030
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]pentanamide
CID 42769137
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 5176062
(2S)-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7413286
(2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7225268
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642
methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 4017704
N-ethyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 814467
N-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 814456
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470
N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42771623

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide (CID 42769157) is N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide is CCC(C(=O)N(CCOC)CC(=O)Nc1ccon1)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide?
The InChIKey is RGXMZFVBPBQHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-15(14-7-5-4-6-8-14)18(23)21(10-12-24-2)13-17(22)19-16-9-11-25-20-16/h4-9,11,15H,3,10,12-13H2,1-2H3,(H,19,20,22).
What are the key properties of N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide?
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide has a molecular weight of 345.40 g/mol, XLogP of 2.28, 9 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]-2-phenylbutanamide is sourced from PubChem (CID 42769157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).