N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide

C15H22N2O2 — CID 61364284

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCC(c1ccccc1O)N(C)C(=O)CC1CCCN1
InChIInChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-14(13)18)17(2)15(19)10-12-6-5-9-16-12/h3-4,7-8,11-12,16,18H,5-6,9-10H2,1-2H3
InChIKeyWELACVXVRBCINC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.05
Rot. Bonds4

About N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide

N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide (PubChem CID 61364284) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
PubChem CID61364284
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCC(c1ccccc1O)N(C)C(=O)CC1CCCN1
InChIInChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-14(13)18)17(2)15(19)10-12-6-5-9-16-12/h3-4,7-8,11-12,16,18H,5-6,9-10H2,1-2H3
InChIKeyWELACVXVRBCINC-UHFFFAOYSA-N
XLogP2.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119704713
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide
CID 119715165
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(thian-4-yl)acetamide
CID 82707409
2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide
CID 54874331
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61365041
N-methyl-N-pentan-3-yl-2-pyrrolidin-2-ylacetamide
CID 61371384
(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 81128232
N-(dicyclopropylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760619
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide (CID 61364284) is N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide is CC(c1ccccc1O)N(C)C(=O)CC1CCCN1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is WELACVXVRBCINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-14(13)18)17(2)15(19)10-12-6-5-9-16-12/h3-4,7-8,11-12,16,18H,5-6,9-10H2,1-2H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 262.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61364284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).