N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide

C14H20N2O2 — CID 60807189

IUPACN-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide
SMILESCCN(C(=O)Cc1ccc(O)cc1)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-2-16(12-7-8-15-10-12)14(18)9-11-3-5-13(17)6-4-11/h3-6,12,15,17H,2,7-10H2,1H3
InChIKeySTQBBOUEEMIETK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.15
Rot. Bonds4

About N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide

N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide (PubChem CID 60807189) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide
PubChem CID60807189
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide
SMILESCCN(C(=O)Cc1ccc(O)cc1)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-2-16(12-7-8-15-10-12)14(18)9-11-3-5-13(17)6-4-11/h3-6,12,15,17H,2,7-10H2,1H3
InChIKeySTQBBOUEEMIETK-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide
CID 66181882
2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide
CID 60806745
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
N-ethyl-2-(1H-indol-3-yl)-N-pyrrolidin-3-ylacetamide
CID 63299295
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799979
2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
CID 165439782

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide (CID 60807189) is N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide is CCN(C(=O)Cc1ccc(O)cc1)C1CCNC1.
What is the InChIKey of N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide?
The InChIKey is STQBBOUEEMIETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-16(12-7-8-15-10-12)14(18)9-11-3-5-13(17)6-4-11/h3-6,12,15,17H,2,7-10H2,1H3.
What are the key properties of N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide?
N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 60807189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).