N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide

C22H21NO2 — CID 806562

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1C
InChIInChI=1S/C22H21NO2/c1-14-5-3-8-20(15(14)2)25-13-21(24)23-19-12-11-17-10-9-16-6-4-7-18(19)22(16)17/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,24)
InChIKeyAXOZLPVYVFVVSQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.57
Rot. Bonds4

About N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 806562) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide
PubChem CID806562
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1C
InChIInChI=1S/C22H21NO2/c1-14-5-3-8-20(15(14)2)25-13-21(24)23-19-12-11-17-10-9-16-6-4-7-18(19)22(16)17/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,24)
InChIKeyAXOZLPVYVFVVSQ-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)-N-naphthalen-1-ylacetamide
CID 720683
2-(2,4-dichlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 3974459
2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
N-(2-chloro-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 18075657
3-amino-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 82034375
N-(4-amino-2-chlorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867352
2-(2,3-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 17380454
N-(5-chloro-2-fluorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 8759085
N-(2-chloro-3-pyridinyl)-2-(2,3-dimethylphenoxy)acetamide
CID 17099005
2-(2-acetamidophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 2566695
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide (CID 806562) is N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1C.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is AXOZLPVYVFVVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-14-5-3-8-20(15(14)2)25-13-21(24)23-19-12-11-17-10-9-16-6-4-7-18(19)22(16)17/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,24).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 331.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 806562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).