ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate

C23H27NO4 — CID 100769371

IUPACethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C23H27NO4/c1-4-27-23(26)19-10-9-15(2)21(14-19)24-22(25)16(3)28-20-12-11-17-7-5-6-8-18(17)13-20/h9-14,16H,4-8H2,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyVKIJAWZREZSRSC-MRXNPFEDSA-N
MW381.47 g/mol
LogP4.46
Rot. Bonds6

About ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate

ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate (PubChem CID 100769371) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate
PubChem CID100769371
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Nameethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C23H27NO4/c1-4-27-23(26)19-10-9-15(2)21(14-19)24-22(25)16(3)28-20-12-11-17-7-5-6-8-18(17)13-20/h9-14,16H,4-8H2,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyVKIJAWZREZSRSC-MRXNPFEDSA-N
XLogP4.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate with MolForge

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Related Compounds

ethyl 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-methylbenzoate
CID 132656492
ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704068
dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate
CID 100593851
ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate
CID 92646434
ethyl 3-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-4-methylbenzoate
CID 30397857
ethyl 3-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8890418
4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
CID 133162538
N-(2-ethylsulfanylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133210230
ethyl 4-[[(2S)-2-(3,4-dimethylphenoxy)propanoyl]amino]benzoate
CID 889850
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187208
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate?
The IUPAC name of ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate (CID 100769371) is ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate?
The canonical SMILES for ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate is CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate?
The InChIKey is VKIJAWZREZSRSC-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27NO4/c1-4-27-23(26)19-10-9-15(2)21(14-19)24-22(25)16(3)28-20-12-11-17-7-5-6-8-18(17)13-20/h9-14,16H,4-8H2,1-3H3,(H,24,25)/t16-/m1/s1.
What are the key properties of ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate?
ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate has a molecular weight of 381.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate is sourced from PubChem (CID 100769371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).