N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride

C14H21ClN2O2 — CID 90093065

IUPACN-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCNC2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10(16-11(2)17)12-3-5-13(6-4-12)18-14-7-8-15-9-14;/h3-6,10,14-15H,7-9H2,1-2H3,(H,16,17);1H/t10-,14?;/m0./s1
InChIKeyUYEQZIREUAILIX-LTLOVSHISA-N
MW284.79 g/mol
LogP2.05
Rot. Bonds4

About N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride

N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride (PubChem CID 90093065) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride
PubChem CID90093065
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCNC2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10(16-11(2)17)12-3-5-13(6-4-12)18-14-7-8-15-9-14;/h3-6,10,14-15H,7-9H2,1-2H3,(H,16,17);1H/t10-,14?;/m0./s1
InChIKeyUYEQZIREUAILIX-LTLOVSHISA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
CID 115026405
3-[4-(difluoromethyl)phenoxy]pyrrolidine
CID 115028194
3-(4-methylphenoxy)pyrrolidine
CID 18337173
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate
CID 117095058
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 81368842
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
N-[(1S)-1-[4-[(3R)-1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91824921
N-[1-[4-[1-[4-(difluoromethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123762188
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride (CID 90093065) is N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride is CC(=O)N[C@@H](C)c1ccc(OC2CCNC2)cc1.Cl.
What is the InChIKey of N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is UYEQZIREUAILIX-LTLOVSHISA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-10(16-11(2)17)12-3-5-13(6-4-12)18-14-7-8-15-9-14;/h3-6,10,14-15H,7-9H2,1-2H3,(H,16,17);1H/t10-,14?;/m0./s1.
What are the key properties of N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride?
N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 284.79 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-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 90093065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).