2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride

C13H27ClN2O2 — CID 3071444

IUPAC2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride
SMILESCCC(C)C(CC)C(=O)NCN1CCOCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-4-11(3)12(5-2)13(16)14-10-15-6-8-17-9-7-15;/h11-12H,4-10H2,1-3H3,(H,14,16);1H
InChIKeyUVSQYEPBSRVCAC-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.89
Rot. Bonds6

About 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride

2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride (PubChem CID 3071444) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride
PubChem CID3071444
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride
SMILESCCC(C)C(CC)C(=O)NCN1CCOCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-4-11(3)12(5-2)13(16)14-10-15-6-8-17-9-7-15;/h11-12H,4-10H2,1-3H3,(H,14,16);1H
InChIKeyUVSQYEPBSRVCAC-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride?
The IUPAC name of 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride (CID 3071444) is 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride?
The canonical SMILES for 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride is CCC(C)C(CC)C(=O)NCN1CCOCC1.Cl.
What is the InChIKey of 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride?
The InChIKey is UVSQYEPBSRVCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-4-11(3)12(5-2)13(16)14-10-15-6-8-17-9-7-15;/h11-12H,4-10H2,1-3H3,(H,14,16);1H.
What are the key properties of 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride?
2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide;hydrochloride is sourced from PubChem (CID 3071444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).