N-(4-methylpentyl)morpholine-4-carboxamide

C11H22N2O2 — CID 52577078

IUPACN-(4-methylpentyl)morpholine-4-carboxamide
SMILESCC(C)CCCNC(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-10(2)4-3-5-12-11(14)13-6-8-15-9-7-13/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyQULBEDSKIBLQHE-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.46
Rot. Bonds4

About N-(4-methylpentyl)morpholine-4-carboxamide

N-(4-methylpentyl)morpholine-4-carboxamide (PubChem CID 52577078) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(4-methylpentyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentyl)morpholine-4-carboxamide
PubChem CID52577078
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(4-methylpentyl)morpholine-4-carboxamide
SMILESCC(C)CCCNC(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-10(2)4-3-5-12-11(14)13-6-8-15-9-7-13/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyQULBEDSKIBLQHE-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.46
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)morpholine-4-carboxamide?
The IUPAC name of N-(4-methylpentyl)morpholine-4-carboxamide (CID 52577078) is N-(4-methylpentyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-methylpentyl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-methylpentyl)morpholine-4-carboxamide is CC(C)CCCNC(=O)N1CCOCC1.
What is the InChIKey of N-(4-methylpentyl)morpholine-4-carboxamide?
The InChIKey is QULBEDSKIBLQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2)4-3-5-12-11(14)13-6-8-15-9-7-13/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-(4-methylpentyl)morpholine-4-carboxamide?
N-(4-methylpentyl)morpholine-4-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)morpholine-4-carboxamide is sourced from PubChem (CID 52577078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).