N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide

C21H22N2O2 — CID 110930980

IUPACN-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide
SMILESCN(CCO)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-23(13-14-24)19-11-9-18(10-12-19)22-21(25)15-17-7-4-6-16-5-2-3-8-20(16)17/h2-12,24H,13-15H2,1H3,(H,22,25)
InChIKeyXZZZSCYWUONKOM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.45
Rot. Bonds6

About N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide

N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 110930980) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide
PubChem CID110930980
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide
SMILESCN(CCO)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-23(13-14-24)19-11-9-18(10-12-19)22-21(25)15-17-7-4-6-16-5-2-3-8-20(16)17/h2-12,24H,13-15H2,1H3,(H,22,25)
InChIKeyXZZZSCYWUONKOM-UHFFFAOYSA-N
XLogP3.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
CID 27746775
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide
CID 86898258
N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide
CID 110930982
2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38175338
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide
CID 90204678
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198
2-naphthalen-1-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1243916
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-naphthalen-1-ylacetamide
CID 38381033
2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide
CID 4952511

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide (CID 110930980) is N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide is CN(CCO)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is XZZZSCYWUONKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-23(13-14-24)19-11-9-18(10-12-19)22-21(25)15-17-7-4-6-16-5-2-3-8-20(16)17/h2-12,24H,13-15H2,1H3,(H,22,25).
What are the key properties of N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide?
N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 334.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 110930980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).