(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate

C24H29NO3 — CID 54547849

IUPAC(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate
SMILESCC1(C)CCC(C)(C)c2c1ccc(OC(=O)CCc1ccccc1)c2C(N)=O
InChIInChI=1S/C24H29NO3/c1-23(2)14-15-24(3,4)21-17(23)11-12-18(20(21)22(25)27)28-19(26)13-10-16-8-6-5-7-9-16/h5-9,11-12H,10,13-15H2,1-4H3,(H2,25,27)
InChIKeyZHUPRNRXLMHORL-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.67
Rot. Bonds5

About (1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate

(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate (PubChem CID 54547849) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is (1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate.

Molecular Properties

Compound Name(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate
PubChem CID54547849
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate
SMILESCC1(C)CCC(C)(C)c2c1ccc(OC(=O)CCc1ccccc1)c2C(N)=O
InChIInChI=1S/C24H29NO3/c1-23(2)14-15-24(3,4)21-17(23)11-12-18(20(21)22(25)27)28-19(26)13-10-16-8-6-5-7-9-16/h5-9,11-12H,10,13-15H2,1-4H3,(H2,25,27)
InChIKeyZHUPRNRXLMHORL-UHFFFAOYSA-N
XLogP4.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate?
The IUPAC name of (1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate (CID 54547849) is (1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate.
What is the SMILES notation for (1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate?
The canonical SMILES for (1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate is CC1(C)CCC(C)(C)c2c1ccc(OC(=O)CCc1ccccc1)c2C(N)=O.
What is the InChIKey of (1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate?
The InChIKey is ZHUPRNRXLMHORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-23(2)14-15-24(3,4)21-17(23)11-12-18(20(21)22(25)27)28-19(26)13-10-16-8-6-5-7-9-16/h5-9,11-12H,10,13-15H2,1-4H3,(H2,25,27).
What are the key properties of (1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate?
(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate has a molecular weight of 379.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate is sourced from PubChem (CID 54547849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).