N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide

C23H26N2O — CID 167275079

IUPACN-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide
SMILESCNCc1ccc(CN(CCc2cccc3ccccc23)C(C)=O)cc1
InChIInChI=1S/C23H26N2O/c1-18(26)25(17-20-12-10-19(11-13-20)16-24-2)15-14-22-8-5-7-21-6-3-4-9-23(21)22/h3-13,24H,14-17H2,1-2H3
InChIKeyXLGQROBDXCOVQS-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.15
Rot. Bonds7

About N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide

N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide (PubChem CID 167275079) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide
PubChem CID167275079
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide
SMILESCNCc1ccc(CN(CCc2cccc3ccccc23)C(C)=O)cc1
InChIInChI=1S/C23H26N2O/c1-18(26)25(17-20-12-10-19(11-13-20)16-24-2)15-14-22-8-5-7-21-6-3-4-9-23(21)22/h3-13,24H,14-17H2,1-2H3
InChIKeyXLGQROBDXCOVQS-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine
CID 167275706
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113055046
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
CID 113163044
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 8948128
N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 68534392
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113119893
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
(E)-3-[4-[[acetyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579514

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide?
The IUPAC name of N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide (CID 167275079) is N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide is CNCc1ccc(CN(CCc2cccc3ccccc23)C(C)=O)cc1.
What is the InChIKey of N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide?
The InChIKey is XLGQROBDXCOVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-18(26)25(17-20-12-10-19(11-13-20)16-24-2)15-14-22-8-5-7-21-6-3-4-9-23(21)22/h3-13,24H,14-17H2,1-2H3.
What are the key properties of N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide?
N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 167275079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).