2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide

C20H26N2O3 — CID 75388275

IUPAC2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide
SMILESCOc1ccc2cccc(CC(=O)NC(C)(CC(C)C)C(N)=O)c2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)12-20(3,19(21)24)22-18(23)10-15-7-5-6-14-8-9-16(25-4)11-17(14)15/h5-9,11,13H,10,12H2,1-4H3,(H2,21,24)(H,22,23)
InChIKeyZWHVNIJZEYNZPQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.80
Rot. Bonds7

About 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide

2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide (PubChem CID 75388275) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide
PubChem CID75388275
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide
SMILESCOc1ccc2cccc(CC(=O)NC(C)(CC(C)C)C(N)=O)c2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)12-20(3,19(21)24)22-18(23)10-15-7-5-6-14-8-9-16(25-4)11-17(14)15/h5-9,11,13H,10,12H2,1-4H3,(H2,21,24)(H,22,23)
InChIKeyZWHVNIJZEYNZPQ-UHFFFAOYSA-N
XLogP2.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 120532234
N-(2-hydroxy-4-methylpentyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380191
3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide
CID 19696840
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 75388302
3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120535790
N-[(1S)-1-(1H-imidazol-2-yl)ethyl]-2-(7-methoxynaphthalen-1-yl)acetamide
CID 99801039
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate
CID 115506313
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
[1-(7-methoxynaphthalen-1-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105260340
N-(2-cyclopentyl-2-hydroxyethyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380188
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide?
The IUPAC name of 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide (CID 75388275) is 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide.
What is the SMILES notation for 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide?
The canonical SMILES for 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide is COc1ccc2cccc(CC(=O)NC(C)(CC(C)C)C(N)=O)c2c1.
What is the InChIKey of 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide?
The InChIKey is ZWHVNIJZEYNZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)12-20(3,19(21)24)22-18(23)10-15-7-5-6-14-8-9-16(25-4)11-17(14)15/h5-9,11,13H,10,12H2,1-4H3,(H2,21,24)(H,22,23).
What are the key properties of 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide?
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide has a molecular weight of 342.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide is sourced from PubChem (CID 75388275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).