dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate

C23H25NO6 — CID 100593851

IUPACdimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C23H25NO6/c1-14(30-18-10-8-15-6-4-5-7-16(15)12-18)21(25)24-20-13-17(22(26)28-2)9-11-19(20)23(27)29-3/h8-14H,4-7H2,1-3H3,(H,24,25)/t14-/m1/s1
InChIKeyPYRSSQPDWZRPBE-CQSZACIVSA-N
MW411.45 g/mol
LogP3.54
Rot. Bonds6

About dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate (PubChem CID 100593851) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate
PubChem CID100593851
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Namedimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C23H25NO6/c1-14(30-18-10-8-15-6-4-5-7-16(15)12-18)21(25)24-20-13-17(22(26)28-2)9-11-19(20)23(27)29-3/h8-14H,4-7H2,1-3H3,(H,24,25)/t14-/m1/s1
InChIKeyPYRSSQPDWZRPBE-CQSZACIVSA-N
XLogP3.54
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate
CID 100769371
dimethyl 2-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanoylamino]benzene-1,4-dicarboxylate
CID 133164924
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187208
4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
CID 133162538
dimethyl 2-[2-(2-chlorophenoxy)propanoylamino]benzene-1,4-dicarboxylate
CID 5004355
dimethyl 2-[[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzene-1,4-dicarboxylate
CID 92683584
N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162801
(2R)-N-(2-cyanophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide
CID 7643000
(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100547354
dimethyl 2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzene-1,4-dicarboxylate
CID 1358412
N-(2-ethylsulfanylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133210230
methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate
CID 100518071

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate (CID 100593851) is dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is PYRSSQPDWZRPBE-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25NO6/c1-14(30-18-10-8-15-6-4-5-7-16(15)12-18)21(25)24-20-13-17(22(26)28-2)9-11-19(20)23(27)29-3/h8-14H,4-7H2,1-3H3,(H,24,25)/t14-/m1/s1.
What are the key properties of dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 411.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 100593851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).