N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide

C20H27N3O2 — CID 172615647

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCC1CN(CCNC(=O)Cc2ccc(-n3cccc3)cc2)CC(C)O1
InChIInChI=1S/C20H27N3O2/c1-16-14-22(15-17(2)25-16)12-9-21-20(24)13-18-5-7-19(8-6-18)23-10-3-4-11-23/h3-8,10-11,16-17H,9,12-15H2,1-2H3,(H,21,24)
InChIKeyKXLISWIOIZIJKJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 172615647) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID172615647
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCC1CN(CCNC(=O)Cc2ccc(-n3cccc3)cc2)CC(C)O1
InChIInChI=1S/C20H27N3O2/c1-16-14-22(15-17(2)25-16)12-9-21-20(24)13-18-5-7-19(8-6-18)23-10-3-4-11-23/h3-8,10-11,16-17H,9,12-15H2,1-2H3,(H,21,24)
InChIKeyKXLISWIOIZIJKJ-UHFFFAOYSA-N
XLogP2.25
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 51953215
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51947693
benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate
CID 94821785
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46407605
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43059010
2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide
CID 97039150
N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580341
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 30470832
N-(cyclohexylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43071662
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 97214308

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide (CID 172615647) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide is CC1CN(CCNC(=O)Cc2ccc(-n3cccc3)cc2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is KXLISWIOIZIJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16-14-22(15-17(2)25-16)12-9-21-20(24)13-18-5-7-19(8-6-18)23-10-3-4-11-23/h3-8,10-11,16-17H,9,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 172615647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).