2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid

C24H27NO3 — CID 57193767

IUPAC2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid
SMILESCOc1cccc(C(CCCc2cccc3ccccc23)(C(=O)O)N(C)C)c1
InChIInChI=1S/C24H27NO3/c1-25(2)24(23(26)27,20-13-7-14-21(17-20)28-3)16-8-12-19-11-6-10-18-9-4-5-15-22(18)19/h4-7,9-11,13-15,17H,8,12,16H2,1-3H3,(H,26,27)
InChIKeyHCINBTHYYUYFKP-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.71
Rot. Bonds8

About 2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid

2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid (PubChem CID 57193767) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid
PubChem CID57193767
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid
SMILESCOc1cccc(C(CCCc2cccc3ccccc23)(C(=O)O)N(C)C)c1
InChIInChI=1S/C24H27NO3/c1-25(2)24(23(26)27,20-13-7-14-21(17-20)28-3)16-8-12-19-11-6-10-18-9-4-5-15-22(18)19/h4-7,9-11,13-15,17H,8,12,16H2,1-3H3,(H,26,27)
InChIKeyHCINBTHYYUYFKP-UHFFFAOYSA-N
XLogP4.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[1-(dimethylamino)-3-naphthalen-1-yl-1-phenylpropyl] oxalate
CID 57113152
2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid
CID 46244432
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid
CID 117049749
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758624
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid?
The IUPAC name of 2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid (CID 57193767) is 2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid?
The canonical SMILES for 2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid is COc1cccc(C(CCCc2cccc3ccccc23)(C(=O)O)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid?
The InChIKey is HCINBTHYYUYFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-25(2)24(23(26)27,20-13-7-14-21(17-20)28-3)16-8-12-19-11-6-10-18-9-4-5-15-22(18)19/h4-7,9-11,13-15,17H,8,12,16H2,1-3H3,(H,26,27).
What are the key properties of 2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid?
2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid has a molecular weight of 377.48 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-methoxyphenyl)-5-naphthalen-1-ylpentanoic acid is sourced from PubChem (CID 57193767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).