N-(5-methylhexan-2-yl)morpholine-4-carboxamide

C12H24N2O2 — CID 115575704

IUPACN-(5-methylhexan-2-yl)morpholine-4-carboxamide
SMILESCC(C)CCC(C)NC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)4-5-11(3)13-12(15)14-6-8-16-9-7-14/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyVNXHEMAFUQKCSE-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds4

About N-(5-methylhexan-2-yl)morpholine-4-carboxamide

N-(5-methylhexan-2-yl)morpholine-4-carboxamide (PubChem CID 115575704) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)morpholine-4-carboxamide
PubChem CID115575704
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(5-methylhexan-2-yl)morpholine-4-carboxamide
SMILESCC(C)CCC(C)NC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)4-5-11(3)13-12(15)14-6-8-16-9-7-14/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyVNXHEMAFUQKCSE-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(5-methylhexan-2-yl)morpholine-4-carboxamide (CID 115575704) is N-(5-methylhexan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(5-methylhexan-2-yl)morpholine-4-carboxamide is CC(C)CCC(C)NC(=O)N1CCOCC1.
What is the InChIKey of N-(5-methylhexan-2-yl)morpholine-4-carboxamide?
The InChIKey is VNXHEMAFUQKCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)4-5-11(3)13-12(15)14-6-8-16-9-7-14/h10-11H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-(5-methylhexan-2-yl)morpholine-4-carboxamide?
N-(5-methylhexan-2-yl)morpholine-4-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 115575704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).