N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide

C16H23ClN2O3 — CID 46985161

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide
SMILESCCN(Cc1cc(Cl)ccc1OC)C(=O)CN1CCOCC1
InChIInChI=1S/C16H23ClN2O3/c1-3-19(16(20)12-18-6-8-22-9-7-18)11-13-10-14(17)4-5-15(13)21-2/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyDLWNXABMGPAOQC-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.03
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide (PubChem CID 46985161) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide
PubChem CID46985161
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide
SMILESCCN(Cc1cc(Cl)ccc1OC)C(=O)CN1CCOCC1
InChIInChI=1S/C16H23ClN2O3/c1-3-19(16(20)12-18-6-8-22-9-7-18)11-13-10-14(17)4-5-15(13)21-2/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyDLWNXABMGPAOQC-UHFFFAOYSA-N
XLogP2.03
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55409153
1-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylethanone
CID 82051126
1-(5-chloro-2-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79052318
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
CID 112687072
N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 60958211
3-[(5-chloro-2-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585143
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37192606

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide (CID 46985161) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide is CCN(Cc1cc(Cl)ccc1OC)C(=O)CN1CCOCC1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide?
The InChIKey is DLWNXABMGPAOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-3-19(16(20)12-18-6-8-22-9-7-18)11-13-10-14(17)4-5-15(13)21-2/h4-5,10H,3,6-9,11-12H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide has a molecular weight of 326.82 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 46985161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).