N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide

C18H23N3O2 — CID 110741493

IUPACN-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESCN1CCOC(CCNC(=O)c2ccc(-n3cccc3)cc2)C1
InChIInChI=1S/C18H23N3O2/c1-20-12-13-23-17(14-20)8-9-19-18(22)15-4-6-16(7-5-15)21-10-2-3-11-21/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,19,22)
InChIKeyXFOBQBFZGKFDCV-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide

N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110741493) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide
PubChem CID110741493
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESCN1CCOC(CCNC(=O)c2ccc(-n3cccc3)cc2)C1
InChIInChI=1S/C18H23N3O2/c1-20-12-13-23-17(14-20)8-9-19-18(22)15-4-6-16(7-5-15)21-10-2-3-11-21/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,19,22)
InChIKeyXFOBQBFZGKFDCV-UHFFFAOYSA-N
XLogP1.93
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylmorpholin-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 110709882
3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709915
3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709908
N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95197355
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-pyrrol-1-ylbenzamide
CID 108542314
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 94821980
1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea
CID 110747007
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide (CID 110741493) is N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide is CN1CCOC(CCNC(=O)c2ccc(-n3cccc3)cc2)C1.
What is the InChIKey of N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is XFOBQBFZGKFDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-12-13-23-17(14-20)8-9-19-18(22)15-4-6-16(7-5-15)21-10-2-3-11-21/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 313.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110741493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).