methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate

C20H21NO3 — CID 51355167

IUPACmethyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2CCc3ccccc3C2)cc1
InChIInChI=1S/C20H21NO3/c1-24-20(23)16-8-6-14(7-9-16)13-21-19(22)18-11-10-15-4-2-3-5-17(15)12-18/h2-9,18H,10-13H2,1H3,(H,21,22)
InChIKeyGVVZWQRQOVBWJE-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.89
Rot. Bonds4

About methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate

methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate (PubChem CID 51355167) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
PubChem CID51355167
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namemethyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2CCc3ccccc3C2)cc1
InChIInChI=1S/C20H21NO3/c1-24-20(23)16-8-6-14(7-9-16)13-21-19(22)18-11-10-15-4-2-3-5-17(15)12-18/h2-9,18H,10-13H2,1H3,(H,21,22)
InChIKeyGVVZWQRQOVBWJE-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate with MolForge

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Related Compounds

N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
ethane;methyl 4-[[(4-aminocyclohexanecarbonyl)amino]methyl]benzoate
CID 145465923
methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate
CID 103656733
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 27107110
methyl 4-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoate
CID 78981862
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
methyl 4-[[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]benzoate
CID 18084141
methyl (3S)-2-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
CID 8758657
1-O-methyl 3-O-(1,2,3,4-tetrahydronaphthalene-2-carbonyl) benzene-1,3-dicarboxylate
CID 174466662
methyl 4-[[[(3R)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]methyl]benzoate
CID 42099038

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate?
The IUPAC name of methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate (CID 51355167) is methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate.
What is the SMILES notation for methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate?
The canonical SMILES for methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate is COC(=O)c1ccc(CNC(=O)C2CCc3ccccc3C2)cc1.
What is the InChIKey of methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate?
The InChIKey is GVVZWQRQOVBWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-24-20(23)16-8-6-14(7-9-16)13-21-19(22)18-11-10-15-4-2-3-5-17(15)12-18/h2-9,18H,10-13H2,1H3,(H,21,22).
What are the key properties of methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate?
methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate has a molecular weight of 323.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate is sourced from PubChem (CID 51355167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).