N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide

C16H24N2O3 — CID 108900892

IUPACN-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-12-10-18(11-13(2)21-12)16(19)17-8-7-14-5-4-6-15(9-14)20-3/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,17,19)
InChIKeyVUODCHQFLYRSID-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 108900892) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID108900892
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-12-10-18(11-13(2)21-12)16(19)17-8-7-14-5-4-6-15(9-14)20-3/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,17,19)
InChIKeyVUODCHQFLYRSID-UHFFFAOYSA-N
XLogP2.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,4R,7R,7aS)-N-[3-(3-methoxyphenyl)propyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 99107062
(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95086958
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 48568258
N-[2-(3-methoxyphenyl)ethyl]-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113109427
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 47985084
4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109446
(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95280981
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide (CID 108900892) is N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide is COc1cccc(CCNC(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is VUODCHQFLYRSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-10-18(11-13(2)21-12)16(19)17-8-7-14-5-4-6-15(9-14)20-3/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 108900892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).