methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride

C14H19ClN2O4 — CID 119671383

IUPACmethyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(NC(=O)CC2CNCCO2)cc1.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-19-14(18)10-2-4-11(5-3-10)16-13(17)8-12-9-15-6-7-20-12;/h2-5,12,15H,6-9H2,1H3,(H,16,17);1H
InChIKeySAXSNWHHHJBKSH-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.21
Rot. Bonds4

About methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride

methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride (PubChem CID 119671383) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride
PubChem CID119671383
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Namemethyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(NC(=O)CC2CNCCO2)cc1.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-19-14(18)10-2-4-11(5-3-10)16-13(17)8-12-9-15-6-7-20-12;/h2-5,12,15H,6-9H2,1H3,(H,16,17);1H
InChIKeySAXSNWHHHJBKSH-UHFFFAOYSA-N
XLogP1.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
2-methyl-N-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119685269
2-morpholin-2-yl-N-(4-propan-2-yloxyphenyl)acetamide
CID 66432987
N-[4-(diethylamino)phenyl]-2-morpholin-2-ylacetamide
CID 66434949
N-[4-(2-hydroxyethyl)phenyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 111470973
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697320
2-morpholin-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119702419
N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119680387
2-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]acetic acid
CID 66427232
methyl 2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66433003
2-morpholin-2-yl-N-thiophen-3-ylacetamide;hydrochloride
CID 119788958
2-morpholin-2-yl-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669321

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride?
The IUPAC name of methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride (CID 119671383) is methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride is COC(=O)c1ccc(NC(=O)CC2CNCCO2)cc1.Cl.
What is the InChIKey of methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride?
The InChIKey is SAXSNWHHHJBKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4.ClH/c1-19-14(18)10-2-4-11(5-3-10)16-13(17)8-12-9-15-6-7-20-12;/h2-5,12,15H,6-9H2,1H3,(H,16,17);1H.
What are the key properties of methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride?
methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride has a molecular weight of 314.77 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride is sourced from PubChem (CID 119671383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).