(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide

C14H28N2O3 — CID 97039119

IUPAC(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H28N2O3/c1-11-9-16(10-12(2)19-11)8-6-5-7-15-14(17)13(3)18-4/h11-13H,5-10H2,1-4H3,(H,15,17)/t11-,12-,13+/m0/s1
InChIKeyCUBSDDODTHRBQN-RWMBFGLXSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds7

About (2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide

(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide (PubChem CID 97039119) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide
PubChem CID97039119
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H28N2O3/c1-11-9-16(10-12(2)19-11)8-6-5-7-15-14(17)13(3)18-4/h11-13H,5-10H2,1-4H3,(H,15,17)/t11-,12-,13+/m0/s1
InChIKeyCUBSDDODTHRBQN-RWMBFGLXSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]pentanamide;dihydrochloride
CID 120564879
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
CID 119858913
1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858866
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-phenylprop-2-ynamide
CID 97039116
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119840992
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid
CID 9248889
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]ethanesulfonamide
CID 97058705
3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858858
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 55747813

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide?
The IUPAC name of (2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide (CID 97039119) is (2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide.
What is the SMILES notation for (2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide?
The canonical SMILES for (2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide is CO[C@H](C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide?
The InChIKey is CUBSDDODTHRBQN-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11-9-16(10-12(2)19-11)8-6-5-7-15-14(17)13(3)18-4/h11-13H,5-10H2,1-4H3,(H,15,17)/t11-,12-,13+/m0/s1.
What are the key properties of (2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide?
(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide has a molecular weight of 272.39 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide is sourced from PubChem (CID 97039119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).