[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate

C23H27NO3 — CID 19760315

IUPAC[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C23H27NO3/c1-15(25)27-18-9-6-16(7-10-18)21(26)24-17-8-11-19-20(14-17)23(4,5)13-12-22(19,2)3/h6-11,14H,12-13H2,1-5H3,(H,24,26)
InChIKeyYJCDSRGMVYWJHE-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.21
Rot. Bonds3

About [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate

[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate (PubChem CID 19760315) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate
PubChem CID19760315
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C23H27NO3/c1-15(25)27-18-9-6-16(7-10-18)21(26)24-17-8-11-19-20(14-17)23(4,5)13-12-22(19,2)3/h6-11,14H,12-13H2,1-5H3,(H,24,26)
InChIKeyYJCDSRGMVYWJHE-UHFFFAOYSA-N
XLogP5.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.21
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

methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate
CID 155439708
3-oxo-3-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]propanoic acid
CID 24946634
ethane;methyl 2-[[2-[[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoyl]amino]acetyl]amino]acetate
CID 143799383
[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] acetate
CID 4048166
N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
CID 18989925
azidomethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoate
CID 90432441
[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 3881325
(4-benzamidophenyl) acetate
CID 34734144
ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
CID 3086620
[4-[[4-[[4-[(4-acetyloxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]phenyl] acetate
CID 10324446
5-[(4-acetyloxybenzoyl)amino]-2-carboxyphenolate
CID 54711888
CID 88523039
CID 88523039

Frequently Asked Questions

What is the IUPAC name of [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate?
The IUPAC name of [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate (CID 19760315) is [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate?
The InChIKey is YJCDSRGMVYWJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-15(25)27-18-9-6-16(7-10-18)21(26)24-17-8-11-19-20(14-17)23(4,5)13-12-22(19,2)3/h6-11,14H,12-13H2,1-5H3,(H,24,26).
What are the key properties of [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate?
[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate has a molecular weight of 365.47 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 19760315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).