methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate

C26H29NO6 — CID 132503978

IUPACmethyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1c(O)cc2cccc(OCc3ccccc3)c2c1CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C26H29NO6/c1-26(2,3)33-25(30)27(4)15-19-22-18(14-20(28)23(19)24(29)31-5)12-9-13-21(22)32-16-17-10-7-6-8-11-17/h6-14,28H,15-16H2,1-5H3
InChIKeyXWAWTNJCSLHQDK-UHFFFAOYSA-N
MW451.52 g/mol
LogP5.28
Rot. Bonds6

About methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate

methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate (PubChem CID 132503978) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate
PubChem CID132503978
Molecular FormulaC26H29NO6
Molecular Weight451.52 g/mol
Exact Mass451.20
IUPAC Namemethyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1c(O)cc2cccc(OCc3ccccc3)c2c1CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C26H29NO6/c1-26(2,3)33-25(30)27(4)15-19-22-18(14-20(28)23(19)24(29)31-5)12-9-13-21(22)32-16-17-10-7-6-8-11-17/h6-14,28H,15-16H2,1-5H3
InChIKeyXWAWTNJCSLHQDK-UHFFFAOYSA-N
XLogP5.28
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate with MolForge

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Related Compounds

5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-phenylmethoxybenzoic acid
CID 171385087
methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate
CID 172528451
2-methoxycarbonyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 59799802
tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175096452
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
methyl 2-amino-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 58018330
methyl 4-hydroxy-2-(2-hydroxyethyl)-3-methyl-6-phenylmethoxybenzoate
CID 90855197
tert-butyl N-[(2R)-2-hydroxy-2-(3-phenylmethoxyphenyl)ethyl]-N-methylcarbamate
CID 121230643
benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801
methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate
CID 131747132
tert-butyl 2-phenylmethoxy-4-propanoylbenzoate
CID 70815239
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate (CID 132503978) is methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate is COC(=O)c1c(O)cc2cccc(OCc3ccccc3)c2c1CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate?
The InChIKey is XWAWTNJCSLHQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO6/c1-26(2,3)33-25(30)27(4)15-19-22-18(14-20(28)23(19)24(29)31-5)12-9-13-21(22)32-16-17-10-7-6-8-11-17/h6-14,28H,15-16H2,1-5H3.
What are the key properties of methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate?
methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate has a molecular weight of 451.52 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 132503978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).