ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate

C24H29NO3 — CID 3086620

IUPACethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C24H29NO3/c1-6-28-22(27)16-7-10-18(11-8-16)25-21(26)17-9-12-19-20(15-17)24(4,5)14-13-23(19,2)3/h7-12,15H,6,13-14H2,1-5H3,(H,25,26)
InChIKeyBACPJFZYTZYCNF-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.46
Rot. Bonds4

About ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate

ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate (PubChem CID 3086620) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
PubChem CID3086620
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Nameethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C24H29NO3/c1-6-28-22(27)16-7-10-18(11-8-16)25-21(26)17-9-12-19-20(15-17)24(4,5)14-13-23(19,2)3/h7-12,15H,6,13-14H2,1-5H3,(H,25,26)
InChIKeyBACPJFZYTZYCNF-UHFFFAOYSA-N
XLogP5.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate with MolForge

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Related Compounds

ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate
CID 10959476
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
azidomethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoate
CID 90432441
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
2-[4-(butanoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 59224486
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate
CID 51200273
ethyl 4-sulfooxybenzoate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene
CID 22908098
prop-2-enyl 4-[[N-benzyl-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]amino]benzoate
CID 18916167
[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate
CID 19760315
3-oxo-3-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]propanoic acid
CID 24946634
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate (CID 3086620) is ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate?
The InChIKey is BACPJFZYTZYCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-6-28-22(27)16-7-10-18(11-8-16)25-21(26)17-9-12-19-20(15-17)24(4,5)14-13-23(19,2)3/h7-12,15H,6,13-14H2,1-5H3,(H,25,26).
What are the key properties of ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate?
ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate has a molecular weight of 379.50 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 3086620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).