N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride

C14H21ClN2O3 — CID 119718146

IUPACN-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCOCc1ccc(CNC(=O)C2CNCCO2)cc1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-10-12-4-2-11(3-5-12)8-16-14(17)13-9-15-6-7-19-13;/h2-5,13,15H,6-10H2,1H3,(H,16,17);1H
InChIKeyAANXBADKIVZFEV-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.86
Rot. Bonds5

About N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride

N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119718146) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119718146
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCOCc1ccc(CNC(=O)C2CNCCO2)cc1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-10-12-4-2-11(3-5-12)8-16-14(17)13-9-15-6-7-19-13;/h2-5,13,15H,6-10H2,1H3,(H,16,17);1H
InChIKeyAANXBADKIVZFEV-UHFFFAOYSA-N
XLogP0.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
CID 119701239
N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119805525
(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 99943698
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295
N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119887029
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119754617
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (CID 119718146) is N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is COCc1ccc(CNC(=O)C2CNCCO2)cc1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is AANXBADKIVZFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-18-10-12-4-2-11(3-5-12)8-16-14(17)13-9-15-6-7-19-13;/h2-5,13,15H,6-10H2,1H3,(H,16,17);1H.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119718146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).