methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate

C15H22N2O3 — CID 82538034

IUPACmethyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate
SMILESCOC(=O)CN(C)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-16(12-15(18)19-2)14-5-3-13(4-6-14)11-17-7-9-20-10-8-17/h3-6H,7-12H2,1-2H3
InChIKeyHLYZLNZJEPKGJO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.13
Rot. Bonds5

About methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate

methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate (PubChem CID 82538034) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate
PubChem CID82538034
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate
SMILESCOC(=O)CN(C)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-16(12-15(18)19-2)14-5-3-13(4-6-14)11-17-7-9-20-10-8-17/h3-6H,7-12H2,1-2H3
InChIKeyHLYZLNZJEPKGJO-UHFFFAOYSA-N
XLogP1.13
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60616616
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid
CID 175714348
methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate
CID 71405548
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
N-methoxy-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 117345350
methyl 2-[carbamoyl-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]amino]acetate
CID 67240862
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115232740
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 8991176
CID 59303659
CID 59303659
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722

Frequently Asked Questions

What is the IUPAC name of methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate?
The IUPAC name of methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate (CID 82538034) is methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate.
What is the SMILES notation for methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate?
The canonical SMILES for methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate is COC(=O)CN(C)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate?
The InChIKey is HLYZLNZJEPKGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16(12-15(18)19-2)14-5-3-13(4-6-14)11-17-7-9-20-10-8-17/h3-6H,7-12H2,1-2H3.
What are the key properties of methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate?
methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate has a molecular weight of 278.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate is sourced from PubChem (CID 82538034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).