(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide

C19H29N3O3 — CID 27633039

IUPAC(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C19H29N3O3/c1-12-7-6-8-13(2)18(12)21-17(23)9-20-19(24)16(5)22-10-14(3)25-15(4)11-22/h6-8,14-16H,9-11H2,1-5H3,(H,20,24)(H,21,23)/t14-,15-,16+/m1/s1
InChIKeyJYRPFGZPPMBJRL-OAGGEKHMSA-N
MW347.46 g/mol
LogP1.86
Rot. Bonds5

About (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide

(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 27633039) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID27633039
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C19H29N3O3/c1-12-7-6-8-13(2)18(12)21-17(23)9-20-19(24)16(5)22-10-14(3)25-15(4)11-22/h6-8,14-16H,9-11H2,1-5H3,(H,20,24)(H,21,23)/t14-,15-,16+/m1/s1
InChIKeyJYRPFGZPPMBJRL-OAGGEKHMSA-N
XLogP1.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide with MolForge

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Related Compounds

(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 25466162
(2R)-2-(azepan-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9032994
(2R)-2-(4-acetylpiperazin-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9033789
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 42915661
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 42913625
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide
CID 99819793
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266337
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266339
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
N-(2,6-dimethylphenyl)-2-(2,3,6-trimethylmorpholin-4-yl)propanamide
CID 167289528
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9034770

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide (CID 27633039) is (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide is Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is JYRPFGZPPMBJRL-OAGGEKHMSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-12-7-6-8-13(2)18(12)21-17(23)9-20-19(24)16(5)22-10-14(3)25-15(4)11-22/h6-8,14-16H,9-11H2,1-5H3,(H,20,24)(H,21,23)/t14-,15-,16+/m1/s1.
What are the key properties of (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 27633039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).