N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide

C18H28N2O2 — CID 167289528

IUPACN-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)N1CC(C)OC(C)C1C
InChIInChI=1S/C18H28N2O2/c1-11-8-7-9-12(2)17(11)19-18(21)15(5)20-10-13(3)22-16(6)14(20)4/h7-9,13-16H,10H2,1-6H3,(H,19,21)
InChIKeyAMRYNBLZAWBWTN-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.13
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide

N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide (PubChem CID 167289528) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide
PubChem CID167289528
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)N1CC(C)OC(C)C1C
InChIInChI=1S/C18H28N2O2/c1-11-8-7-9-12(2)17(11)19-18(21)15(5)20-10-13(3)22-16(6)14(20)4/h7-9,13-16H,10H2,1-6H3,(H,19,21)
InChIKeyAMRYNBLZAWBWTN-UHFFFAOYSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 27633039
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
(2R)-N-(2,6-dimethylphenyl)-2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]propanamide
CID 98304494
2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide
CID 86928080
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
N-(2,6-dimethylphenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534343
N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544182
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 25466162
N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 3223551
2-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917312

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide (CID 167289528) is N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide is Cc1cccc(C)c1NC(=O)C(C)N1CC(C)OC(C)C1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide?
The InChIKey is AMRYNBLZAWBWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-11-8-7-9-12(2)17(11)19-18(21)15(5)20-10-13(3)22-16(6)14(20)4/h7-9,13-16H,10H2,1-6H3,(H,19,21).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide?
N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 167289528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).