N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C26H31N3O2 — CID 8948128

IUPACN-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C26H31N3O2/c1-3-29(4-2)19-21-14-12-20(13-15-21)17-27-26(31)18-28-25(30)16-23-10-7-9-22-8-5-6-11-24(22)23/h5-15H,3-4,16-19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyNDAJAUDTGOCJRE-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.66
Rot. Bonds10

About N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 8948128) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID8948128
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C26H31N3O2/c1-3-29(4-2)19-21-14-12-20(13-15-21)17-27-26(31)18-28-25(30)16-23-10-7-9-22-8-5-6-11-24(22)23/h5-15H,3-4,16-19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyNDAJAUDTGOCJRE-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 61259556
2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 119835863
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31610326
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46423856
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 43580032

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 8948128) is N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CCN(CC)Cc1ccc(CNC(=O)CNC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is NDAJAUDTGOCJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-3-29(4-2)19-21-14-12-20(13-15-21)17-27-26(31)18-28-25(30)16-23-10-7-9-22-8-5-6-11-24(22)23/h5-15H,3-4,16-19H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 417.55 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 8948128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).