N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide

C19H30N2O3 — CID 110020096

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CN2CCC(C(C)O)C2)c1
InChIInChI=1S/C19H30N2O3/c1-14-9-15(2)11-18(10-14)24-8-7-20(4)19(23)13-21-6-5-17(12-21)16(3)22/h9-11,16-17,22H,5-8,12-13H2,1-4H3
InChIKeyPRPXBCPFMFFEQY-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.84
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 110020096) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID110020096
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CN2CCC(C(C)O)C2)c1
InChIInChI=1S/C19H30N2O3/c1-14-9-15(2)11-18(10-14)24-8-7-20(4)19(23)13-21-6-5-17(12-21)16(3)22/h9-11,16-17,22H,5-8,12-13H2,1-4H3
InChIKeyPRPXBCPFMFFEQY-UHFFFAOYSA-N
XLogP1.84
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide (CID 110020096) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide is Cc1cc(C)cc(OCCN(C)C(=O)CN2CCC(C(C)O)C2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is PRPXBCPFMFFEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-9-15(2)11-18(10-14)24-8-7-20(4)19(23)13-21-6-5-17(12-21)16(3)22/h9-11,16-17,22H,5-8,12-13H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 334.46 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 110020096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).