3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

C16H20N2O3 — CID 120944376

IUPAC3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCc1cc2ccccc2o1)NCC1CNCC1O
InChIInChI=1S/C16H20N2O3/c19-14-10-17-8-12(14)9-18-16(20)6-5-13-7-11-3-1-2-4-15(11)21-13/h1-4,7,12,14,17,19H,5-6,8-10H2,(H,18,20)
InChIKeyCIFSIFOFOQFTHS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.06
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (PubChem CID 120944376) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
PubChem CID120944376
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCc1cc2ccccc2o1)NCC1CNCC1O
InChIInChI=1S/C16H20N2O3/c19-14-10-17-8-12(14)9-18-16(20)6-5-13-7-11-3-1-2-4-15(11)21-13/h1-4,7,12,14,17,19H,5-6,8-10H2,(H,18,20)
InChIKeyCIFSIFOFOQFTHS-UHFFFAOYSA-N
XLogP1.06
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120943172
3-[4-[[3-(1-benzofuran-2-yl)propanoylamino]methyl]phenyl]propanoic acid
CID 167847200
3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948869
3-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948373
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide
CID 120944120
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120944811
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 120944089
3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 32695433
3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120943968
N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide
CID 119799114
2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120946157
2-(2,6-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120944560

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (CID 120944376) is 3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is O=C(CCc1cc2ccccc2o1)NCC1CNCC1O.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The InChIKey is CIFSIFOFOQFTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-14-10-17-8-12(14)9-18-16(20)6-5-13-7-11-3-1-2-4-15(11)21-13/h1-4,7,12,14,17,19H,5-6,8-10H2,(H,18,20).
What are the key properties of 3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 120944376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).