methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate

C21H21NO2 — CID 101263579

IUPACmethyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1ccc(N(C)C)c2ccccc12
InChIInChI=1S/C21H21NO2/c1-22(2)19-14-13-18(16-11-7-8-12-17(16)19)20(21(23)24-3)15-9-5-4-6-10-15/h4-14,20H,1-3H3
InChIKeyTUNONCCOAPHGOB-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.21
Rot. Bonds4

About methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate

methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate (PubChem CID 101263579) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate
PubChem CID101263579
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Namemethyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1ccc(N(C)C)c2ccccc12
InChIInChI=1S/C21H21NO2/c1-22(2)19-14-13-18(16-11-7-8-12-17(16)19)20(21(23)24-3)15-9-5-4-6-10-15/h4-14,20H,1-3H3
InChIKeyTUNONCCOAPHGOB-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol
CID 170874748
[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
CID 44580866
methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate
CID 132581240
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate
CID 134954112
1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate
CID 69049532
methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate
CID 102595202
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate?
The IUPAC name of methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate (CID 101263579) is methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate.
What is the SMILES notation for methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate?
The canonical SMILES for methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate is COC(=O)C(c1ccccc1)c1ccc(N(C)C)c2ccccc12.
What is the InChIKey of methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate?
The InChIKey is TUNONCCOAPHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-22(2)19-14-13-18(16-11-7-8-12-17(16)19)20(21(23)24-3)15-9-5-4-6-10-15/h4-14,20H,1-3H3.
What are the key properties of methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate?
methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate has a molecular weight of 319.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(dimethylamino)naphthalen-1-yl]-2-phenylacetate is sourced from PubChem (CID 101263579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).