methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate

C21H23NO4 — CID 100682861

IUPACmethyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1
InChIInChI=1S/C21H23NO4/c1-14(26-19-12-6-8-15-7-3-4-11-18(15)19)20(23)22-17-10-5-9-16(13-17)21(24)25-2/h5-6,8-10,12-14H,3-4,7,11H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyORWUXQYVVVCXSB-CQSZACIVSA-N
MW353.42 g/mol
LogP3.76
Rot. Bonds5

About methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate

methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate (PubChem CID 100682861) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate
PubChem CID100682861
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namemethyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1
InChIInChI=1S/C21H23NO4/c1-14(26-19-12-6-8-15-7-3-4-11-18(15)19)20(23)22-17-10-5-9-16(13-17)21(24)25-2/h5-6,8-10,12-14H,3-4,7,11H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyORWUXQYVVVCXSB-CQSZACIVSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzoate
CID 133163126
N-(3-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133162928
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
methyl 3-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate
CID 43885235
(2R)-N-(2-ethyl-6-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100682201
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100711289
N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133200022
methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 1177997
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
dimethyl 5-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzene-1,3-dicarboxylate
CID 28982159
methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
CID 17413178

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate?
The IUPAC name of methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate (CID 100682861) is methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1.
What is the InChIKey of methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate?
The InChIKey is ORWUXQYVVVCXSB-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14(26-19-12-6-8-15-7-3-4-11-18(15)19)20(23)22-17-10-5-9-16(13-17)21(24)25-2/h5-6,8-10,12-14H,3-4,7,11H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate?
methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate has a molecular weight of 353.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate is sourced from PubChem (CID 100682861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).