(2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide

C22H25N3O5 — CID 1104562

IUPAC(2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide
SMILESCO[C@@H](C(=O)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H25N3O5/c1-28-21(18-5-3-2-4-6-18)22(27)24-23-15-17-7-9-19(10-8-17)30-16-20(26)25-11-13-29-14-12-25/h2-10,15,21H,11-14,16H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyYTLBJNFARJMMNU-OAQYLSRUSA-N
MW411.46 g/mol
LogP1.76
Rot. Bonds8

About (2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide

(2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide (PubChem CID 1104562) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide
PubChem CID1104562
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name(2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide
SMILESCO[C@@H](C(=O)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H25N3O5/c1-28-21(18-5-3-2-4-6-18)22(27)24-23-15-17-7-9-19(10-8-17)30-16-20(26)25-11-13-29-14-12-25/h2-10,15,21H,11-14,16H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyYTLBJNFARJMMNU-OAQYLSRUSA-N
XLogP1.76
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126027835
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474
2-chloro-N-[3-methyl-1-[2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 5018350
2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 6081951
methyl 2-[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126267893
4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide
CID 6241998
[4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 3457631
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126015984
N-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-2-methoxy-2-(4-morpholin-4-ylphenyl)acetamide
CID 59185876
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
2-(4-chlorophenoxy)-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 51641793

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide?
The IUPAC name of (2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide (CID 1104562) is (2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide is CO[C@@H](C(=O)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide?
The InChIKey is YTLBJNFARJMMNU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-28-21(18-5-3-2-4-6-18)22(27)24-23-15-17-7-9-19(10-8-17)30-16-20(26)25-11-13-29-14-12-25/h2-10,15,21H,11-14,16H2,1H3,(H,24,27)/t21-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide?
(2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide has a molecular weight of 411.46 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 1104562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).