N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide

C16H22N2O2 — CID 75418578

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NC1CCN(C2CC2)C1
InChIInChI=1S/C16H22N2O2/c19-15-4-2-1-3-12(15)5-8-16(20)17-13-9-10-18(11-13)14-6-7-14/h1-4,13-14,19H,5-11H2,(H,17,20)
InChIKeyVOKCJDKWRMXKOB-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.68
Rot. Bonds5

About N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide

N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide (PubChem CID 75418578) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide
PubChem CID75418578
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NC1CCN(C2CC2)C1
InChIInChI=1S/C16H22N2O2/c19-15-4-2-1-3-12(15)5-8-16(20)17-13-9-10-18(11-13)14-6-7-14/h1-4,13-14,19H,5-11H2,(H,17,20)
InChIKeyVOKCJDKWRMXKOB-UHFFFAOYSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide (CID 75418578) is N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide is O=C(CCc1ccccc1O)NC1CCN(C2CC2)C1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide?
The InChIKey is VOKCJDKWRMXKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-4-2-1-3-12(15)5-8-16(20)17-13-9-10-18(11-13)14-6-7-14/h1-4,13-14,19H,5-11H2,(H,17,20).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide?
N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide has a molecular weight of 274.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 75418578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).