2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide

C22H26N2O5 — CID 110286938

IUPAC2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1OC
InChIInChI=1S/C22H26N2O5/c1-27-18-9-8-16(14-19(18)28-2)15-20(25)23-21(17-6-4-3-5-7-17)22(26)24-10-12-29-13-11-24/h3-9,14,21H,10-13,15H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyQJUGWQVAKXLHLV-NRFANRHFSA-N
MW398.46 g/mol
LogP1.96
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide (PubChem CID 110286938) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide
PubChem CID110286938
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1OC
InChIInChI=1S/C22H26N2O5/c1-27-18-9-8-16(14-19(18)28-2)15-20(25)23-21(17-6-4-3-5-7-17)22(26)24-10-12-29-13-11-24/h3-9,14,21H,10-13,15H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyQJUGWQVAKXLHLV-NRFANRHFSA-N
XLogP1.96
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94818251
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-phenylacetamide
CID 110286922
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 53125923
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 95091970
(2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 39973215
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-naphthalen-1-ylacetamide
CID 51960254
ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide
CID 110306164
2-(3,4-dimethoxyphenyl)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 46431995
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
2-(2-methoxyphenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347257
2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
CID 110349084

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide (CID 110286938) is 2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide is COc1ccc(CC(=O)N[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide?
The InChIKey is QJUGWQVAKXLHLV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-27-18-9-8-16(14-19(18)28-2)15-20(25)23-21(17-6-4-3-5-7-17)22(26)24-10-12-29-13-11-24/h3-9,14,21H,10-13,15H2,1-2H3,(H,23,25)/t21-/m0/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide is sourced from PubChem (CID 110286938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).