N-[(2R)-octan-2-yl]morpholine-4-carboxamide

C13H26N2O2 — CID 7815302

IUPACN-[(2R)-octan-2-yl]morpholine-4-carboxamide
SMILESCCCCCC[C@@H](C)NC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-4-5-6-7-12(2)14-13(16)15-8-10-17-11-9-15/h12H,3-11H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyKJYSFADEIWGLMV-GFCCVEGCSA-N
MW242.36 g/mol
LogP2.39
Rot. Bonds6

About N-[(2R)-octan-2-yl]morpholine-4-carboxamide

N-[(2R)-octan-2-yl]morpholine-4-carboxamide (PubChem CID 7815302) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(2R)-octan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-octan-2-yl]morpholine-4-carboxamide
PubChem CID7815302
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(2R)-octan-2-yl]morpholine-4-carboxamide
SMILESCCCCCC[C@@H](C)NC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-4-5-6-7-12(2)14-13(16)15-8-10-17-11-9-15/h12H,3-11H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyKJYSFADEIWGLMV-GFCCVEGCSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide
CID 115640219
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
N-(4-amino-4-oxobutan-2-yl)morpholine-4-carboxamide
CID 115665185
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
2-(1,4-oxazepane-4-carbonylamino)hexanoic acid
CID 62967980
2-chloro-1-morpholin-4-ylnonan-1-one
CID 55048109
N-(1-cyclopropylpropan-2-yl)morpholine-4-carboxamide
CID 115624308
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
diethyl 2-(morpholine-4-carbonylamino)propanedioate
CID 79151888
N-(1-methoxypentan-2-yl)morpholine-4-carboxamide
CID 116656280

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-octan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2R)-octan-2-yl]morpholine-4-carboxamide (CID 7815302) is N-[(2R)-octan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2R)-octan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2R)-octan-2-yl]morpholine-4-carboxamide is CCCCCC[C@@H](C)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2R)-octan-2-yl]morpholine-4-carboxamide?
The InChIKey is KJYSFADEIWGLMV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-5-6-7-12(2)14-13(16)15-8-10-17-11-9-15/h12H,3-11H2,1-2H3,(H,14,16)/t12-/m1/s1.
What are the key properties of N-[(2R)-octan-2-yl]morpholine-4-carboxamide?
N-[(2R)-octan-2-yl]morpholine-4-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-octan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 7815302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).