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

C21H22N2O — CID 155821496

IUPACN-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide
SMILESCC(N)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O/c1-15(22)18-9-6-16(7-10-18)14-23-21(24)13-17-8-11-19-4-2-3-5-20(19)12-17/h2-12,15H,13-14,22H2,1H3,(H,23,24)
InChIKeyLYBQGGSHFKACMA-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.72
Rot. Bonds5

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

N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide (PubChem CID 155821496) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide
PubChem CID155821496
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide
SMILESCC(N)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O/c1-15(22)18-9-6-16(7-10-18)14-23-21(24)13-17-8-11-19-4-2-3-5-20(19)12-17/h2-12,15H,13-14,22H2,1H3,(H,23,24)
InChIKeyLYBQGGSHFKACMA-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 154874968
N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
CID 68703244
N-(4-aminopentyl)-2-naphthalen-2-ylacetamide
CID 106122522
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 46455853
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472
N-[(2-fluorophenyl)methyl]-2-naphthalen-2-ylacetamide
CID 8870478
N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
CID 114389774
N-benzyl-2-naphthalen-2-ylpropanamide
CID 102432446
2-naphthalen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55709663
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828492
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide (CID 155821496) is N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide is CC(N)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide?
The InChIKey is LYBQGGSHFKACMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15(22)18-9-6-16(7-10-18)14-23-21(24)13-17-8-11-19-4-2-3-5-20(19)12-17/h2-12,15H,13-14,22H2,1H3,(H,23,24).
What are the key properties of N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide?
N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide has a molecular weight of 318.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 155821496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).