N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide

C12H24N2O3 — CID 103896247

IUPACN-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide
SMILESCC(C)(CCCO)CNC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-12(2,4-3-7-15)10-13-11(16)14-5-8-17-9-6-14/h15H,3-10H2,1-2H3,(H,13,16)
InChIKeyVVJNLSUPRUEWMH-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.83
Rot. Bonds5

About N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide

N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide (PubChem CID 103896247) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide
PubChem CID103896247
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide
SMILESCC(C)(CCCO)CNC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-12(2,4-3-7-15)10-13-11(16)14-5-8-17-9-6-14/h15H,3-10H2,1-2H3,(H,13,16)
InChIKeyVVJNLSUPRUEWMH-UHFFFAOYSA-N
XLogP0.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)morpholine-4-carboxamide
CID 103713760
N-(5-amino-2,2-dimethylpentyl)morpholine-4-carboxamide
CID 106141337
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
N-(4-hydroxy-2,2-dimethylbutyl)piperidine-1-carboxamide
CID 103713759
N-(3,3-dimethyl-2-oxobutyl)morpholine-4-carboxamide
CID 79152144
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
N-[2-(4-fluorophenyl)-2-hydroxypropyl]morpholine-4-carboxamide
CID 110291409
N-propylmorpholine-4-carboxamide
CID 3410822
5-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 79193032
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
N-(5-hydroxy-2,2-dimethylpentyl)morpholine-3-carboxamide
CID 114150111

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide (CID 103896247) is N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide is CC(C)(CCCO)CNC(=O)N1CCOCC1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide?
The InChIKey is VVJNLSUPRUEWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,4-3-7-15)10-13-11(16)14-5-8-17-9-6-14/h15H,3-10H2,1-2H3,(H,13,16).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide?
N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide is sourced from PubChem (CID 103896247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).