N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide

C16H24N2O4 — CID 658810

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C16H24N2O4/c1-17(16(19)18-8-10-22-11-9-18)7-6-13-4-5-14(20-2)15(12-13)21-3/h4-5,12H,6-11H2,1-3H3
InChIKeyCWWQMLWFHLRTHL-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide (PubChem CID 658810) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide
PubChem CID658810
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C16H24N2O4/c1-17(16(19)18-8-10-22-11-9-18)7-6-13-4-5-14(20-2)15(12-13)21-3/h4-5,12H,6-11H2,1-3H3
InChIKeyCWWQMLWFHLRTHL-UHFFFAOYSA-N
XLogP1.63
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113121873
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 55457019
2-(3,4-dimethoxyphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94818251
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8682147
N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113140660
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 69472007
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]propanamide
CID 118756801
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 3607741
(2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 39973215
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide
CID 136542154
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194050

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide (CID 658810) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide is COc1ccc(CCN(C)C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide?
The InChIKey is CWWQMLWFHLRTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-17(16(19)18-8-10-22-11-9-18)7-6-13-4-5-14(20-2)15(12-13)21-3/h4-5,12H,6-11H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 658810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).