4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid

C19H23NO5 — CID 120532234

IUPAC4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)Cc1cccc2ccc(OC)cc12
InChIInChI=1S/C19H23NO5/c1-19(12-24-2,11-18(22)23)20-17(21)9-14-6-4-5-13-7-8-15(25-3)10-16(13)14/h4-8,10H,9,11-12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyWBAMEJVDZHJUNH-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.39
Rot. Bonds8

About 4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid

4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid (PubChem CID 120532234) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid
PubChem CID120532234
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)Cc1cccc2ccc(OC)cc12
InChIInChI=1S/C19H23NO5/c1-19(12-24-2,11-18(22)23)20-17(21)9-14-6-4-5-13-7-8-15(25-3)10-16(13)14/h4-8,10H,9,11-12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyWBAMEJVDZHJUNH-UHFFFAOYSA-N
XLogP2.39
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2,4-dimethylpentanamide
CID 75388275
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
3-(2,7-dimethoxynaphthalen-1-yl)-3-methylbutanoic acid
CID 117465791
3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120535790
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
3-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]-4-methoxy-3-methylbutanoic acid
CID 120532266
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide
CID 75388312
N-(2-hydroxy-4-methylpentyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380191
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid (CID 120532234) is 4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid is COCC(C)(CC(=O)O)NC(=O)Cc1cccc2ccc(OC)cc12.
What is the InChIKey of 4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid?
The InChIKey is WBAMEJVDZHJUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-19(12-24-2,11-18(22)23)20-17(21)9-14-6-4-5-13-7-8-15(25-3)10-16(13)14/h4-8,10H,9,11-12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid?
4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid has a molecular weight of 345.40 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 120532234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).