2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide

C23H27N3O3 — CID 73250368

IUPAC2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccccc1C1NC2CCCCC2NC1=O)c1ccccc1
InChIInChI=1S/C23H27N3O3/c1-29-21(15-9-3-2-4-10-15)23(28)25-17-12-6-5-11-16(17)20-22(27)26-19-14-8-7-13-18(19)24-20/h2-6,9-12,18-21,24H,7-8,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyYKBUVTPYERTRFF-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.08
Rot. Bonds5

About 2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide

2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide (PubChem CID 73250368) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide
PubChem CID73250368
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccccc1C1NC2CCCCC2NC1=O)c1ccccc1
InChIInChI=1S/C23H27N3O3/c1-29-21(15-9-3-2-4-10-15)23(28)25-17-12-6-5-11-16(17)20-22(27)26-19-14-8-7-13-18(19)24-20/h2-6,9-12,18-21,24H,7-8,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyYKBUVTPYERTRFF-UHFFFAOYSA-N
XLogP3.08
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide
CID 64929493
(2R)-N-cyclopentyl-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]propanamide
CID 95303216
N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide
CID 131950375
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
[(1R)-2-oxo-1-phenyl-2-[2-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]anilino]ethyl] acetate
CID 11246580
N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 75846276
(2R)-2-methoxy-2-phenyl-N-(4-pyrrolidin-3-ylphenyl)acetamide
CID 67240693
N-[2-(cycloheptylamino)ethyl]-2-methoxy-2-phenylacetamide;hydrochloride
CID 119621225
[3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate
CID 57180808
2-methoxy-2-phenyl-N-(piperidin-4-ylmethyl)acetamide
CID 62098228

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide (CID 73250368) is 2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide is COC(C(=O)Nc1ccccc1C1NC2CCCCC2NC1=O)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide?
The InChIKey is YKBUVTPYERTRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-21(15-9-3-2-4-10-15)23(28)25-17-12-6-5-11-16(17)20-22(27)26-19-14-8-7-13-18(19)24-20/h2-6,9-12,18-21,24H,7-8,13-14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide?
2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide has a molecular weight of 393.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 73250368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).