N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide

C14H20N2O3 — CID 107712044

IUPACN-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(C)c2c(O)cccc2O)C1
InChIInChI=1S/C14H20N2O3/c1-9(14-12(18)4-3-5-13(14)19)16-7-6-11(8-16)15-10(2)17/h3-5,9,11,18-19H,6-8H2,1-2H3,(H,15,17)
InChIKeyMYBROTNECNAJCI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.37
Rot. Bonds3

About N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide

N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 107712044) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide
PubChem CID107712044
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(C)c2c(O)cccc2O)C1
InChIInChI=1S/C14H20N2O3/c1-9(14-12(18)4-3-5-13(14)19)16-7-6-11(8-16)15-10(2)17/h3-5,9,11,18-19H,6-8H2,1-2H3,(H,15,17)
InChIKeyMYBROTNECNAJCI-UHFFFAOYSA-N
XLogP1.37
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,3-diol
CID 107711411
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
3-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 107711629
N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide
CID 113402114
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
CID 49437832
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea
CID 71976361
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide (CID 107712044) is N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(C)c2c(O)cccc2O)C1.
What is the InChIKey of N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is MYBROTNECNAJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(14-12(18)4-3-5-13(14)19)16-7-6-11(8-16)15-10(2)17/h3-5,9,11,18-19H,6-8H2,1-2H3,(H,15,17).
What are the key properties of N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide?
N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 107712044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).