methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate

C23H32N2O3 — CID 175627851

IUPACmethyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate
SMILESCC[C@H](CNC(=O)OC)C(=O)N1CC2(CC(c3cccc(C4CCC4)c3)C2)C1
InChIInChI=1S/C23H32N2O3/c1-3-16(13-24-22(27)28-2)21(26)25-14-23(15-25)11-20(12-23)19-9-5-8-18(10-19)17-6-4-7-17/h5,8-10,16-17,20H,3-4,6-7,11-15H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyPJIBLHDQMZWGHL-MRXNPFEDSA-N
MW384.52 g/mol
LogP4.04
Rot. Bonds6

About methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate

methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate (PubChem CID 175627851) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate
PubChem CID175627851
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Namemethyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate
SMILESCC[C@H](CNC(=O)OC)C(=O)N1CC2(CC(c3cccc(C4CCC4)c3)C2)C1
InChIInChI=1S/C23H32N2O3/c1-3-16(13-24-22(27)28-2)21(26)25-14-23(15-25)11-20(12-23)19-9-5-8-18(10-19)17-6-4-7-17/h5,8-10,16-17,20H,3-4,6-7,11-15H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyPJIBLHDQMZWGHL-MRXNPFEDSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate?
The IUPAC name of methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate (CID 175627851) is methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate.
What is the SMILES notation for methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate?
The canonical SMILES for methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate is CC[C@H](CNC(=O)OC)C(=O)N1CC2(CC(c3cccc(C4CCC4)c3)C2)C1.
What is the InChIKey of methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate?
The InChIKey is PJIBLHDQMZWGHL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-3-16(13-24-22(27)28-2)21(26)25-14-23(15-25)11-20(12-23)19-9-5-8-18(10-19)17-6-4-7-17/h5,8-10,16-17,20H,3-4,6-7,11-15H2,1-2H3,(H,24,27)/t16-/m1/s1.
What are the key properties of methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate?
methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate has a molecular weight of 384.52 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate is sourced from PubChem (CID 175627851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).