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

C20H26ClN3O2 — CID 119805525

IUPACN-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCCN(c1ccccc1)c1ccc(CNC(=O)C2CNCCO2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-2-23(17-6-4-3-5-7-17)18-10-8-16(9-11-18)14-22-20(24)19-15-21-12-13-25-19;/h3-11,19,21H,2,12-15H2,1H3,(H,22,24);1H
InChIKeyVXUBVUDSBCPQMB-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.87
Rot. Bonds6

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

N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119805525) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119805525
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCCN(c1ccccc1)c1ccc(CNC(=O)C2CNCCO2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-2-23(17-6-4-3-5-7-17)18-10-8-16(9-11-18)14-22-20(24)19-15-21-12-13-25-19;/h3-11,19,21H,2,12-15H2,1H3,(H,22,24);1H
InChIKeyVXUBVUDSBCPQMB-UHFFFAOYSA-N
XLogP2.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.87
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-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119887029
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119694438
N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
CID 119701239
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295

Frequently Asked Questions

What is the IUPAC name of N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (CID 119805525) is N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is CCN(c1ccccc1)c1ccc(CNC(=O)C2CNCCO2)cc1.Cl.
What is the InChIKey of N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is VXUBVUDSBCPQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-2-23(17-6-4-3-5-7-17)18-10-8-16(9-11-18)14-22-20(24)19-15-21-12-13-25-19;/h3-11,19,21H,2,12-15H2,1H3,(H,22,24);1H.
What are the key properties of N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119805525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).