methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate

C21H25ClN2O3 — CID 51932562

IUPACmethyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate
SMILESCOC(=O)[C@H](c1ccccc1Cl)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H25ClN2O3/c1-23(20(21(25)26-2)17-8-4-5-9-18(17)22)15-16-7-3-6-10-19(16)24-11-13-27-14-12-24/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1
InChIKeyUHOFSDAQGXUKGE-FQEVSTJZSA-N
MW388.90 g/mol
LogP3.52
Rot. Bonds6

About methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate

methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate (PubChem CID 51932562) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate
PubChem CID51932562
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Namemethyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate
SMILESCOC(=O)[C@H](c1ccccc1Cl)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H25ClN2O3/c1-23(20(21(25)26-2)17-8-4-5-9-18(17)22)15-16-7-3-6-10-19(16)24-11-13-27-14-12-24/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1
InChIKeyUHOFSDAQGXUKGE-FQEVSTJZSA-N
XLogP3.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491927
(2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 25329070
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
N-(4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491426
(2R)-N-(3-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26381467
(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide
CID 25334129
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41118821
(2R)-N-(4-chloro-2-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26382172
N-(3-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 42888083
(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 25468215
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 45356007

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate?
The IUPAC name of methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate (CID 51932562) is methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate.
What is the SMILES notation for methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate?
The canonical SMILES for methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate is COC(=O)[C@H](c1ccccc1Cl)N(C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate?
The InChIKey is UHOFSDAQGXUKGE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-23(20(21(25)26-2)17-8-4-5-9-18(17)22)15-16-7-3-6-10-19(16)24-11-13-27-14-12-24/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1.
What are the key properties of methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate?
methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate has a molecular weight of 388.90 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetate is sourced from PubChem (CID 51932562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).