methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate

C30H32N2O4 — CID 122689814

IUPACmethyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC3(CC2)CC(OC(=O)Nc2ccccc2-c2ccccc2)C3)cc1
InChIInChI=1S/C30H32N2O4/c1-35-28(33)24-13-11-22(12-14-24)21-32-17-15-30(16-18-32)19-25(20-30)36-29(34)31-27-10-6-5-9-26(27)23-7-3-2-4-8-23/h2-14,25H,15-21H2,1H3,(H,31,34)
InChIKeyJXWMSYKKTPAFKW-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.13
Rot. Bonds6

About methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate

methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate (PubChem CID 122689814) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate
PubChem CID122689814
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Namemethyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC3(CC2)CC(OC(=O)Nc2ccccc2-c2ccccc2)C3)cc1
InChIInChI=1S/C30H32N2O4/c1-35-28(33)24-13-11-22(12-14-24)21-32-17-15-30(16-18-32)19-25(20-30)36-29(34)31-27-10-6-5-9-26(27)23-7-3-2-4-8-23/h2-14,25H,15-21H2,1H3,(H,31,34)
InChIKeyJXWMSYKKTPAFKW-UHFFFAOYSA-N
XLogP6.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate with MolForge

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Related Compounds

3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid
CID 122689808
[7-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl-methylcarbamoyl]phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-(2-phenylphenyl)carbamate
CID 122697386
ethyl-dimethyl-[[4-[[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]methyl]phenyl]methyl]azanium
CID 20625302
[1-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984903
ethyl 1-[[4-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]phenyl]methyl]piperidine-4-carboxylate
CID 57459432
[1-[2-[[3-[4-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-3-oxopropyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66986347
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 10645832
[(3aR,6aS)-2-[2-[[4-[(4-carbamoylpiperidin-1-yl)methyl]benzoyl]-methylamino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl] N-(2-phenylphenyl)carbamate
CID 174890346
[1-[2-[[2-[4-[[4-(dimethylcarbamoyl)piperazin-1-yl]methyl]phenyl]-2-oxoethyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66756290
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436
cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate
CID 155875097
[1-[2-[[4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984337

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate (CID 122689814) is methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCC3(CC2)CC(OC(=O)Nc2ccccc2-c2ccccc2)C3)cc1.
What is the InChIKey of methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate?
The InChIKey is JXWMSYKKTPAFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-35-28(33)24-13-11-22(12-14-24)21-32-17-15-30(16-18-32)19-25(20-30)36-29(34)31-27-10-6-5-9-26(27)23-7-3-2-4-8-23/h2-14,25H,15-21H2,1H3,(H,31,34).
What are the key properties of methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate?
methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate has a molecular weight of 484.60 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoate is sourced from PubChem (CID 122689814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).