N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

C16H27N3O3 — CID 50952420

IUPACN-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1=CCCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1
InChIInChI=1S/C16H27N3O3/c1-12-8-19(9-13(2)22-12)16(21)11-18-6-4-5-15(10-18)7-17-14(3)20/h5,12-13H,4,6-11H2,1-3H3,(H,17,20)/t12-,13+
InChIKeyAIHYWTWPRBCZPM-BETUJISGSA-N
MW309.41 g/mol
LogP0.39
Rot. Bonds4

About N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (PubChem CID 50952420) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
PubChem CID50952420
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1=CCCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1
InChIInChI=1S/C16H27N3O3/c1-12-8-19(9-13(2)22-12)16(21)11-18-6-4-5-15(10-18)7-17-14(3)20/h5,12-13H,4,6-11H2,1-3H3,(H,17,20)/t12-,13+
InChIKeyAIHYWTWPRBCZPM-BETUJISGSA-N
XLogP0.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 53616075
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95345326
2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone
CID 97336858
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55578672
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 5018134
N-(1-{[1-(2-ethoxyethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}piperidin-3-yl)acetamide
CID 50961460
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone
CID 59011826
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone
CID 117711358
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)acetamide
CID 3226624
2-(Cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone
CID 19163989
2-[(4-Methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone
CID 19164016
Morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone
CID 20981689

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (CID 50952420) is N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is CC(=O)NCC1=CCCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1.
What is the InChIKey of N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The InChIKey is AIHYWTWPRBCZPM-BETUJISGSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12-8-19(9-13(2)22-12)16(21)11-18-6-4-5-15(10-18)7-17-14(3)20/h5,12-13H,4,6-11H2,1-3H3,(H,17,20)/t12-,13+.
What are the key properties of N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is sourced from PubChem (CID 50952420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).