N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide

C21H26N2O2 — CID 111333629

IUPACN-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(CCO)C2CCCc3ccccc32)c1
InChIInChI=1S/C21H26N2O2/c1-16(25)22-19-9-4-6-17(14-19)15-23(12-13-24)21-11-5-8-18-7-2-3-10-20(18)21/h2-4,6-7,9-10,14,21,24H,5,8,11-13,15H2,1H3,(H,22,25)
InChIKeyPFOQUMMCFVFCGM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.52
Rot. Bonds6

About N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide

N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide (PubChem CID 111333629) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide
PubChem CID111333629
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(CCO)C2CCCc3ccccc32)c1
InChIInChI=1S/C21H26N2O2/c1-16(25)22-19-9-4-6-17(14-19)15-23(12-13-24)21-11-5-8-18-7-2-3-10-20(18)21/h2-4,6-7,9-10,14,21,24H,5,8,11-13,15H2,1H3,(H,22,25)
InChIKeyPFOQUMMCFVFCGM-UHFFFAOYSA-N
XLogP3.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide
CID 110921357
2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 111436327
4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide
CID 166194548
2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
N-[3-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]acetamide
CID 71973103
2-[2,3-dihydro-1H-inden-1-yl-[(3-methoxy-4-nitrophenyl)methyl]amino]ethanol
CID 110009206
1-(2-hydroxyethyl)-3-(3-nitrophenyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97213982
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-prop-2-enylacetamide
CID 111332324
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide (CID 111333629) is N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN(CCO)C2CCCc3ccccc32)c1.
What is the InChIKey of N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide?
The InChIKey is PFOQUMMCFVFCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(25)22-19-9-4-6-17(14-19)15-23(12-13-24)21-11-5-8-18-7-2-3-10-20(18)21/h2-4,6-7,9-10,14,21,24H,5,8,11-13,15H2,1H3,(H,22,25).
What are the key properties of N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide?
N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 111333629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).