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

C23H23NO2 — CID 37397845

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H23NO2/c1-2-26-15-19-7-4-3-6-18(19)14-24-23(25)21-13-12-17-11-10-16-8-5-9-20(21)22(16)17/h3-9,12-13H,2,10-11,14-15H2,1H3,(H,24,25)
InChIKeyHLVMIQWYGHZNET-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.40
Rot. Bonds6

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

N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 37397845) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID37397845
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H23NO2/c1-2-26-15-19-7-4-3-6-18(19)14-24-23(25)21-13-12-17-11-10-16-8-5-9-20(21)22(16)17/h3-9,12-13H,2,10-11,14-15H2,1H3,(H,24,25)
InChIKeyHLVMIQWYGHZNET-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 24595934
N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23877086
N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55753701
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55596990
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 55599193
N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 37398463
N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide
CID 50849902
4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 63308069
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 103928994
2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
CID 119944739

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide (CID 37397845) is N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide is CCOCc1ccccc1CNC(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is HLVMIQWYGHZNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-26-15-19-7-4-3-6-18(19)14-24-23(25)21-13-12-17-11-10-16-8-5-9-20(21)22(16)17/h3-9,12-13H,2,10-11,14-15H2,1H3,(H,24,25).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 37397845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).