2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide

C17H21N3O2 — CID 645953

IUPAC2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C17H21N3O2/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20/h1-4,7-10,14,18H,5-6,11-13H2,(H,19,21)
InChIKeyHOFDDOTWFNDAOG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.18
Rot. Bonds6

About 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide

2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide (PubChem CID 645953) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
PubChem CID645953
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C17H21N3O2/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20/h1-4,7-10,14,18H,5-6,11-13H2,(H,19,21)
InChIKeyHOFDDOTWFNDAOG-UHFFFAOYSA-N
XLogP2.18
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119687133
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 124698301
N-(4-methyl-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 124697742
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(3-cyclopentyloxy-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 91645589
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide (CID 645953) is 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide is O=C(CNCC1CCCO1)Nc1ccccc1-n1cccc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide?
The InChIKey is HOFDDOTWFNDAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20/h1-4,7-10,14,18H,5-6,11-13H2,(H,19,21).
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide?
2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 645953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).