N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide

C16H22N2O2 — CID 132517785

IUPACN-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)C12CCCN1CCC2
InChIInChI=1S/C16H22N2O2/c19-14-5-3-13(4-6-14)7-10-17-15(20)16-8-1-11-18(16)12-2-9-16/h3-6,19H,1-2,7-12H2,(H,17,20)
InChIKeyMPUFZDBNPCKGCF-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.68
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide (PubChem CID 132517785) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
PubChem CID132517785
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)C12CCCN1CCC2
InChIInChI=1S/C16H22N2O2/c19-14-5-3-13(4-6-14)7-10-17-15(20)16-8-1-11-18(16)12-2-9-16/h3-6,19H,1-2,7-12H2,(H,17,20)
InChIKeyMPUFZDBNPCKGCF-UHFFFAOYSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
CID 119050357
N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122560463
N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 131912090
N-[2-(4-hydroxyphenyl)ethyl]-4-methyldithiolane-4-carboxamide
CID 45111583
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid
CID 154912354
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69207344
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 81172071
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921
1-amino-N-[2-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189931
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 135990316

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide (CID 132517785) is N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide is O=C(NCCc1ccc(O)cc1)C12CCCN1CCC2.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
The InChIKey is MPUFZDBNPCKGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-14-5-3-13(4-6-14)7-10-17-15(20)16-8-1-11-18(16)12-2-9-16/h3-6,19H,1-2,7-12H2,(H,17,20).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide is sourced from PubChem (CID 132517785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).