N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide

C17H22F2N2O3 — CID 95174002

IUPACN-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide
SMILESCC[C@@H]1CN(C(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)CCO1
InChIInChI=1S/C17H22F2N2O3/c1-3-12-10-21(7-8-24-12)16(23)9-15(20-11(2)22)17-13(18)5-4-6-14(17)19/h4-6,12,15H,3,7-10H2,1-2H3,(H,20,22)/t12-,15-/m1/s1
InChIKeyHRVICFSXJHAISD-IUODEOHRSA-N
MW340.37 g/mol
LogP2.17
Rot. Bonds5

About N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide

N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide (PubChem CID 95174002) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide
PubChem CID95174002
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC NameN-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide
SMILESCC[C@@H]1CN(C(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)CCO1
InChIInChI=1S/C17H22F2N2O3/c1-3-12-10-21(7-8-24-12)16(23)9-15(20-11(2)22)17-13(18)5-4-6-14(17)19/h4-6,12,15H,3,7-10H2,1-2H3,(H,20,22)/t12-,15-/m1/s1
InChIKeyHRVICFSXJHAISD-IUODEOHRSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(3R)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124682319
(3R)-4-[(3R)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 126454909
2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125132677
3-[(3R)-1-[(3S)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]piperidin-3-yl]propanoic acid
CID 124682090
4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239507
2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide
CID 146086643
(5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52508667
4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 63324245
N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 146084589
methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate
CID 95586043
2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid
CID 124517152

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide (CID 95174002) is N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide is CC[C@@H]1CN(C(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)CCO1.
What is the InChIKey of N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide?
The InChIKey is HRVICFSXJHAISD-IUODEOHRSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-3-12-10-21(7-8-24-12)16(23)9-15(20-11(2)22)17-13(18)5-4-6-14(17)19/h4-6,12,15H,3,7-10H2,1-2H3,(H,20,22)/t12-,15-/m1/s1.
What are the key properties of N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide?
N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide has a molecular weight of 340.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 95174002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).