methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate

C22H27N3O4 — CID 67240862

IUPACmethyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(-c2ccccc2CN2CCOCC2)cc1)C(N)=O
InChIInChI=1S/C22H27N3O4/c1-28-21(26)16-25(22(23)27)14-17-6-8-18(9-7-17)20-5-3-2-4-19(20)15-24-10-12-29-13-11-24/h2-9H,10-16H2,1H3,(H2,23,27)
InChIKeyCOKBIMLDUIQPEO-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.24
Rot. Bonds7

About methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate

methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate (PubChem CID 67240862) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate
PubChem CID67240862
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Namemethyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(-c2ccccc2CN2CCOCC2)cc1)C(N)=O
InChIInChI=1S/C22H27N3O4/c1-28-21(26)16-25(22(23)27)14-17-6-8-18(9-7-17)20-5-3-2-4-19(20)15-24-10-12-29-13-11-24/h2-9H,10-16H2,1H3,(H2,23,27)
InChIKeyCOKBIMLDUIQPEO-UHFFFAOYSA-N
XLogP2.24
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate?
The IUPAC name of methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate (CID 67240862) is methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate.
What is the SMILES notation for methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate?
The canonical SMILES for methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate is COC(=O)CN(Cc1ccc(-c2ccccc2CN2CCOCC2)cc1)C(N)=O.
What is the InChIKey of methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate?
The InChIKey is COKBIMLDUIQPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-21(26)16-25(22(23)27)14-17-6-8-18(9-7-17)20-5-3-2-4-19(20)15-24-10-12-29-13-11-24/h2-9H,10-16H2,1H3,(H2,23,27).
What are the key properties of methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate?
methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate has a molecular weight of 397.48 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate is sourced from PubChem (CID 67240862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).