methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate

C24H29NO6 — CID 100518071

IUPACmethyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate
SMILESCC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC
InChIInChI=1S/C24H29NO6/c1-5-20(31-17-11-10-15-8-6-7-9-16(15)12-17)23(26)25-19-14-22(29-3)21(28-2)13-18(19)24(27)30-4/h10-14,20H,5-9H2,1-4H3,(H,25,26)/t20-/m1/s1
InChIKeyVXTQKIFXITXFPH-HXUWFJFHSA-N
MW427.50 g/mol
LogP4.17
Rot. Bonds8

About methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate

methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate (PubChem CID 100518071) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate
PubChem CID100518071
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Namemethyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate
SMILESCC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC
InChIInChI=1S/C24H29NO6/c1-5-20(31-17-11-10-15-8-6-7-9-16(15)12-17)23(26)25-19-14-22(29-3)21(28-2)13-18(19)24(27)30-4/h10-14,20H,5-9H2,1-4H3,(H,25,26)/t20-/m1/s1
InChIKeyVXTQKIFXITXFPH-HXUWFJFHSA-N
XLogP4.17
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzoate
CID 133186921
methyl 2-[2-(4-tert-butylphenoxy)butanoylamino]-4,5-dimethoxybenzoate
CID 132668747
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
(2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100756589
N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133200251
methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 18876261
methyl 2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-4,5-dimethoxybenzoate
CID 28631989
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 100561674
(2R)-N-(2-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100745817
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133201702
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133162114

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate (CID 100518071) is methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate is CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC.
What is the InChIKey of methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate?
The InChIKey is VXTQKIFXITXFPH-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29NO6/c1-5-20(31-17-11-10-15-8-6-7-9-16(15)12-17)23(26)25-19-14-22(29-3)21(28-2)13-18(19)24(27)30-4/h10-14,20H,5-9H2,1-4H3,(H,25,26)/t20-/m1/s1.
What are the key properties of methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate?
methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate has a molecular weight of 427.50 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate is sourced from PubChem (CID 100518071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).