ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate

C21H23NO3 — CID 100704068

IUPACethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H23NO3/c1-3-25-21(24)18-9-8-14(2)19(13-18)22-20(23)17-11-10-15-6-4-5-7-16(15)12-17/h8-13H,3-7H2,1-2H3,(H,22,23)
InChIKeyFECINIBPDDBKLO-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.30
Rot. Bonds4

About ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate

ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate (PubChem CID 100704068) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
PubChem CID100704068
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Nameethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H23NO3/c1-3-25-21(24)18-9-8-14(2)19(13-18)22-20(23)17-11-10-15-6-4-5-7-16(15)12-17/h8-13H,3-7H2,1-2H3,(H,22,23)
InChIKeyFECINIBPDDBKLO-UHFFFAOYSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704037
ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate
CID 100769371
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
ethyl 3-[(3-aminobenzoyl)amino]-4-methylbenzoate
CID 154574450
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 17492553
ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 9228157
ethyl 3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]-4-methylbenzoate
CID 92673369
methyl 4-methyl-3-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzoate
CID 9495176
[2-(2-methylanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706159
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate
CID 100612781
ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate
CID 100545556
5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118313504

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate?
The IUPAC name of ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate (CID 100704068) is ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate.
What is the SMILES notation for ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate?
The canonical SMILES for ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate is CCOC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate?
The InChIKey is FECINIBPDDBKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-3-25-21(24)18-9-8-14(2)19(13-18)22-20(23)17-11-10-15-6-4-5-7-16(15)12-17/h8-13H,3-7H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate?
ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate has a molecular weight of 337.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate is sourced from PubChem (CID 100704068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).