(2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one

C21H24N2O3 — CID 25347499

IUPAC(2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)Nc2ccc3oc4ccccc4c3c2)C[C@H](C)O1
InChIInChI=1S/C21H24N2O3/c1-13-11-23(12-14(2)25-13)21(24)15(3)22-16-8-9-20-18(10-16)17-6-4-5-7-19(17)26-20/h4-10,13-15,22H,11-12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyJAYYSEHOJJNLGI-QLFBSQMISA-N
MW352.43 g/mol
LogP4.02
Rot. Bonds3

About (2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one

(2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one (PubChem CID 25347499) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
PubChem CID25347499
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)Nc2ccc3oc4ccccc4c3c2)C[C@H](C)O1
InChIInChI=1S/C21H24N2O3/c1-13-11-23(12-14(2)25-13)21(24)15(3)22-16-8-9-20-18(10-16)17-6-4-5-7-19(17)26-20/h4-10,13-15,22H,11-12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyJAYYSEHOJJNLGI-QLFBSQMISA-N
XLogP4.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one with MolForge

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Related Compounds

2-(3,4-dimethylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 17399590
2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 17402101
(2S)-2-(1,3-benzodioxol-5-ylamino)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25360335
(2S)-2-(1,3-benzodioxol-5-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25360336
(2S)-2-(4-bromo-3-methylanilino)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 7831927
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 4877660
(2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide
CID 40954212
2-(dibenzofuran-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 17430257
(2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 40954290
(2R)-2-amino-N-dibenzofuran-2-ylpropanamide
CID 54996249
N-dibenzofuran-2-yl-3-methylbutanamide
CID 18082320
N-[(2S)-1-(dibenzofuran-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 8002470

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of (2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one (CID 25347499) is (2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for (2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one is C[C@@H]1CN(C(=O)[C@@H](C)Nc2ccc3oc4ccccc4c3c2)C[C@H](C)O1.
What is the InChIKey of (2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The InChIKey is JAYYSEHOJJNLGI-QLFBSQMISA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-11-23(12-14(2)25-13)21(24)15(3)22-16-8-9-20-18(10-16)17-6-4-5-7-19(17)26-20/h4-10,13-15,22H,11-12H2,1-3H3/t13-,14+,15-/m1/s1.
What are the key properties of (2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
(2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one has a molecular weight of 352.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 25347499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).