N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide

C24H25NO3 — CID 46414825

IUPACN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc3c4c(cccc24)CC3)cc1OC
InChIInChI=1S/C24H25NO3/c1-4-28-21-13-11-18(14-22(21)27-3)15(2)25-24(26)20-12-10-17-9-8-16-6-5-7-19(20)23(16)17/h5-7,10-15H,4,8-9H2,1-3H3,(H,25,26)
InChIKeyMFQFLJYHDGUHEK-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.84
Rot. Bonds6

About N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide

N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 46414825) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID46414825
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc3c4c(cccc24)CC3)cc1OC
InChIInChI=1S/C24H25NO3/c1-4-28-21-13-11-18(14-22(21)27-3)15(2)25-24(26)20-12-10-17-9-8-16-6-5-7-19(20)23(16)17/h5-7,10-15H,4,8-9H2,1-3H3,(H,25,26)
InChIKeyMFQFLJYHDGUHEK-UHFFFAOYSA-N
XLogP4.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 40817507
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 18143667
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide
CID 46417867
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716738
2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46448294
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705940
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46418044
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2579582

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide (CID 46414825) is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide is CCOc1ccc(C(C)NC(=O)c2ccc3c4c(cccc24)CC3)cc1OC.
What is the InChIKey of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is MFQFLJYHDGUHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-4-28-21-13-11-18(14-22(21)27-3)15(2)25-24(26)20-12-10-17-9-8-16-6-5-7-19(20)23(16)17/h5-7,10-15H,4,8-9H2,1-3H3,(H,25,26).
What are the key properties of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 46414825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).