N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

C18H26N2O4 — CID 32684724

IUPACN-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc([C@H](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)NC(C)=O)cc1
InChIInChI=1S/C18H26N2O4/c1-12-10-20(11-13(2)24-12)18(22)9-17(19-14(3)21)15-5-7-16(23-4)8-6-15/h5-8,12-13,17H,9-11H2,1-4H3,(H,19,21)/t12-,13+,17-/m0/s1
InChIKeyJQDHINZOPYUQLZ-AHIWAGSCSA-N
MW334.42 g/mol
LogP1.90
Rot. Bonds5

About N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (PubChem CID 32684724) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
PubChem CID32684724
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc([C@H](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)NC(C)=O)cc1
InChIInChI=1S/C18H26N2O4/c1-12-10-20(11-13(2)24-12)18(22)9-17(19-14(3)21)15-5-7-16(23-4)8-6-15/h5-8,12-13,17H,9-11H2,1-4H3,(H,19,21)/t12-,13+,17-/m0/s1
InChIKeyJQDHINZOPYUQLZ-AHIWAGSCSA-N
XLogP1.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684720
N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124589509
N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 94017783
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124687153
N-[(1R)-1-(4-chlorophenyl)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 25477270
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone
CID 7082114
1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 42920354
N-[3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 126777176
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 45355134
(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (CID 32684724) is N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is COc1ccc([C@H](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)NC(C)=O)cc1.
What is the InChIKey of N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The InChIKey is JQDHINZOPYUQLZ-AHIWAGSCSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12-10-20(11-13(2)24-12)18(22)9-17(19-14(3)21)15-5-7-16(23-4)8-6-15/h5-8,12-13,17H,9-11H2,1-4H3,(H,19,21)/t12-,13+,17-/m0/s1.
What are the key properties of N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 32684724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).