dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate

C24H23NO6 — CID 43915556

IUPACdimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC
InChIInChI=1S/C24H23NO6/c1-4-21(31-18-11-9-15-7-5-6-8-16(15)13-18)22(26)25-20-14-17(23(27)29-2)10-12-19(20)24(28)30-3/h5-14,21H,4H2,1-3H3,(H,25,26)
InChIKeyNHYDLRQSSSDRFM-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.21
Rot. Bonds7

About dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate

dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate (PubChem CID 43915556) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate
PubChem CID43915556
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Namedimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC
InChIInChI=1S/C24H23NO6/c1-4-21(31-18-11-9-15-7-5-6-8-16(15)13-18)22(26)25-20-14-17(23(27)29-2)10-12-19(20)24(28)30-3/h5-14,21H,4H2,1-3H3,(H,25,26)
InChIKeyNHYDLRQSSSDRFM-UHFFFAOYSA-N
XLogP4.21
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[(2R)-2-naphthalen-2-yloxybutanoyl]amino]benzoate
CID 30382427
methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate
CID 43904604
ethyl 3-methyl-4-(2-naphthalen-2-yloxybutanoylamino)benzoate
CID 46771780
dimethyl 2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]benzene-1,4-dicarboxylate
CID 92671843
ethyl 3-chloro-4-[[(2R)-2-naphthalen-2-yloxybutanoyl]amino]benzoate
CID 93486347
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 94020229
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate
CID 132652180
(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 93486668
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate (CID 43915556) is dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate is CCC(Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC.
What is the InChIKey of dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate?
The InChIKey is NHYDLRQSSSDRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-4-21(31-18-11-9-15-7-5-6-8-16(15)13-18)22(26)25-20-14-17(23(27)29-2)10-12-19(20)24(28)30-3/h5-14,21H,4H2,1-3H3,(H,25,26).
What are the key properties of dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate?
dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate has a molecular weight of 421.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-naphthalen-2-yloxybutanoylamino)benzene-1,4-dicarboxylate is sourced from PubChem (CID 43915556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).