methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate

C32H36N2O5 — CID 10649845

IUPACmethyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C32H36N2O5/c1-31(2)16-17-32(3,4)25-19-23(13-14-24(25)31)34(5)27-15-12-22(30(37)39-7)18-26(27)33-28(35)20-8-10-21(11-9-20)29(36)38-6/h8-15,18-19H,16-17H2,1-7H3,(H,33,35)
InChIKeyYBRGKFATSJFQRH-UHFFFAOYSA-N
MW528.65 g/mol
LogP6.63
Rot. Bonds6

About methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate

methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate (PubChem CID 10649845) has the molecular formula C32H36N2O5 and a molecular weight of 528.65 g/mol. Its IUPAC name is methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate
PubChem CID10649845
Molecular FormulaC32H36N2O5
Molecular Weight528.65 g/mol
Exact Mass528.26
IUPAC Namemethyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C32H36N2O5/c1-31(2)16-17-32(3,4)25-19-23(13-14-24(25)31)34(5)27-15-12-22(30(37)39-7)18-26(27)33-28(35)20-8-10-21(11-9-20)29(36)38-6/h8-15,18-19H,16-17H2,1-7H3,(H,33,35)
InChIKeyYBRGKFATSJFQRH-UHFFFAOYSA-N
XLogP6.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate with MolForge

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Related Compounds

methyl 4-[[5-methoxy-2-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]carbamoyl]benzoate
CID 10505555
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
methyl 4-[[2-[N-methyl-3,4-di(propan-2-yl)anilino]phenyl]carbamoyl]benzoate
CID 10789459
methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
CID 54559623
methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
CID 10669381
methyl 4-[[2-[4-(1-adamantyl)-N-methylanilino]phenyl]carbamoyl]benzoate
CID 10601277
methyl 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrol-2-yl]benzoate
CID 14726514
methyl 6-[(E)-N-methoxy-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]naphthalene-2-carboxylate
CID 10622500
N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 166326596
methyl 3-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-4-methylbenzoate
CID 92664160
methyl 4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan-3-yl]benzoate
CID 14726501
ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
CID 3086620

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate?
The IUPAC name of methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate (CID 10649845) is methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate.
What is the SMILES notation for methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate?
The canonical SMILES for methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate is COC(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate?
The InChIKey is YBRGKFATSJFQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O5/c1-31(2)16-17-32(3,4)25-19-23(13-14-24(25)31)34(5)27-15-12-22(30(37)39-7)18-26(27)33-28(35)20-8-10-21(11-9-20)29(36)38-6/h8-15,18-19H,16-17H2,1-7H3,(H,33,35).
What are the key properties of methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate?
methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate has a molecular weight of 528.65 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate is sourced from PubChem (CID 10649845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).