ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride

C14H19ClN2O4 — CID 119672431

IUPACethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(NC(=O)C2COCCN2)cc1.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-2-20-14(18)10-3-5-11(6-4-10)16-13(17)12-9-19-8-7-15-12;/h3-6,12,15H,2,7-9H2,1H3,(H,16,17);1H
InChIKeyWDFYFFOTMKXJCN-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.21
Rot. Bonds4

About ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride

ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride (PubChem CID 119672431) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
PubChem CID119672431
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Nameethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(NC(=O)C2COCCN2)cc1.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-2-20-14(18)10-3-5-11(6-4-10)16-13(17)12-9-19-8-7-15-12;/h3-6,12,15H,2,7-9H2,1H3,(H,16,17);1H
InChIKeyWDFYFFOTMKXJCN-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

ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-[4-(propylsulfonylamino)phenyl]morpholine-3-carboxamide
CID 119754209
N-[4-(2-methylpropyl)phenyl]morpholine-3-carboxamide
CID 115177537
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-[4-(cyclopropylcarbamoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119702443
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119762118
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119704465
methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate
CID 119794095

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride?
The IUPAC name of ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride (CID 119672431) is ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride?
The canonical SMILES for ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride is CCOC(=O)c1ccc(NC(=O)C2COCCN2)cc1.Cl.
What is the InChIKey of ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride?
The InChIKey is WDFYFFOTMKXJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4.ClH/c1-2-20-14(18)10-3-5-11(6-4-10)16-13(17)12-9-19-8-7-15-12;/h3-6,12,15H,2,7-9H2,1H3,(H,16,17);1H.
What are the key properties of ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride?
ethyl 4-(morpholine-3-carbonylamino)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 ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride is sourced from PubChem (CID 119672431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).