N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride

C20H25ClN2O3 — CID 22137378

IUPACN-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride
SMILESCl.O=C(NCc1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C20H24N2O3.ClH/c23-18-7-3-16(4-8-18)15-21-20(24)17-5-9-19(10-6-17)25-14-13-22-11-1-2-12-22;/h3-10,23H,1-2,11-15H2,(H,21,24);1H
InChIKeyCUHRFVNAMGZYJP-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.22
Rot. Bonds7

About N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride

N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride (PubChem CID 22137378) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride
PubChem CID22137378
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride
SMILESCl.O=C(NCc1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C20H24N2O3.ClH/c23-18-7-3-16(4-8-18)15-21-20(24)17-5-9-19(10-6-17)25-14-13-22-11-1-2-12-22;/h3-10,23H,1-2,11-15H2,(H,21,24);1H
InChIKeyCUHRFVNAMGZYJP-UHFFFAOYSA-N
XLogP3.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;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

4-methyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 15137005
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 3078820
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 177234140
4-[[[4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122087184
(1S,5R)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97220943
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride (CID 22137378) is N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride is Cl.O=C(NCc1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride?
The InChIKey is CUHRFVNAMGZYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c23-18-7-3-16(4-8-18)15-21-20(24)17-5-9-19(10-6-17)25-14-13-22-11-1-2-12-22;/h3-10,23H,1-2,11-15H2,(H,21,24);1H.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride?
N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride is sourced from PubChem (CID 22137378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).