N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide

C15H21ClN2O3 — CID 84600438

IUPACN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-2-20-11-15(19)17-13-4-3-12(14(16)9-13)10-18-5-7-21-8-6-18/h3-4,9H,2,5-8,10-11H2,1H3,(H,17,19)
InChIKeyGTKJTLBQQCYWSI-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.15
Rot. Bonds6

About N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide (PubChem CID 84600438) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
PubChem CID84600438
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-2-20-11-15(19)17-13-4-3-12(14(16)9-13)10-18-5-7-21-8-6-18/h3-4,9H,2,5-8,10-11H2,1H3,(H,17,19)
InChIKeyGTKJTLBQQCYWSI-UHFFFAOYSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-phenoxyacetamide
CID 110416980
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
CID 75520574
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide
CID 110609625
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 86788739
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 75520570
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 155949254
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110609639
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide
CID 75503898
4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine
CID 110664361

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide?
The IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide (CID 84600438) is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide?
The canonical SMILES for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide is CCOCC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide?
The InChIKey is GTKJTLBQQCYWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-2-20-11-15(19)17-13-4-3-12(14(16)9-13)10-18-5-7-21-8-6-18/h3-4,9H,2,5-8,10-11H2,1H3,(H,17,19).
What are the key properties of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide?
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide has a molecular weight of 312.80 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide is sourced from PubChem (CID 84600438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).