N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide

C14H28N2O3 — CID 71922578

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)N1CCOCC1C
InChIInChI=1S/C14H28N2O3/c1-11(2)8-13(4-6-17)9-15-14(18)16-5-7-19-10-12(16)3/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyMKMVFAZDOXGILA-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.46
Rot. Bonds6

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide (PubChem CID 71922578) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide
PubChem CID71922578
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)N1CCOCC1C
InChIInChI=1S/C14H28N2O3/c1-11(2)8-13(4-6-17)9-15-14(18)16-5-7-19-10-12(16)3/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyMKMVFAZDOXGILA-UHFFFAOYSA-N
XLogP1.46
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide (CID 71922578) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide is CC(C)CC(CCO)CNC(=O)N1CCOCC1C.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide?
The InChIKey is MKMVFAZDOXGILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)8-13(4-6-17)9-15-14(18)16-5-7-19-10-12(16)3/h11-13,17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide is sourced from PubChem (CID 71922578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).