N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide

C21H28N2O2 — CID 86779553

IUPACN-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(CC(C)O)c2ccccc2)c1
InChIInChI=1S/C21H28N2O2/c1-15(24)12-20(18-8-5-4-6-9-18)14-22-16(2)19-10-7-11-21(13-19)23-17(3)25/h4-11,13,15-16,20,22,24H,12,14H2,1-3H3,(H,23,25)
InChIKeyIOSBXVZHCTUGDU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.85
Rot. Bonds8

About N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide (PubChem CID 86779553) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide
PubChem CID86779553
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(CC(C)O)c2ccccc2)c1
InChIInChI=1S/C21H28N2O2/c1-15(24)12-20(18-8-5-4-6-9-18)14-22-16(2)19-10-7-11-21(13-19)23-17(3)25/h4-11,13,15-16,20,22,24H,12,14H2,1-3H3,(H,23,25)
InChIKeyIOSBXVZHCTUGDU-UHFFFAOYSA-N
XLogP3.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide 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-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-[(3-ethoxy-2-hydroxypropyl)amino]ethyl]phenyl]acetamide
CID 63931523
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
(Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid
CID 103240394
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide
CID 97323196
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-[3-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 115728578

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide (CID 86779553) is N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCC(CC(C)O)c2ccccc2)c1.
What is the InChIKey of N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide?
The InChIKey is IOSBXVZHCTUGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15(24)12-20(18-8-5-4-6-9-18)14-22-16(2)19-10-7-11-21(13-19)23-17(3)25/h4-11,13,15-16,20,22,24H,12,14H2,1-3H3,(H,23,25).
What are the key properties of N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 86779553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).