N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide

C23H24N2O — CID 24595934

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H24N2O/c1-25(2)15-19-7-4-3-6-18(19)14-24-23(26)21-13-12-17-11-10-16-8-5-9-20(21)22(16)17/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,24,26)
InChIKeyQTGCIPLDBLTRHC-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.93
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 24595934) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID24595934
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H24N2O/c1-25(2)15-19-7-4-3-6-18(19)14-24-23(26)21-13-12-17-11-10-16-8-5-9-20(21)22(16)17/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,24,26)
InChIKeyQTGCIPLDBLTRHC-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 37397845
N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23877086
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 41276041
N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide
CID 50849902
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 37093996
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167775
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 64609566
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 1301177
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 40817507

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide (CID 24595934) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide is CN(C)Cc1ccccc1CNC(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is QTGCIPLDBLTRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-25(2)15-19-7-4-3-6-18(19)14-24-23(26)21-13-12-17-11-10-16-8-5-9-20(21)22(16)17/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 24595934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).