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

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

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Related Compounds

(2R)-1-[6-[(3-cyclopropylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170373269
methyl N-[2-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]carbamate
CID 166717960
(2R)-1-[6-[(3-cyclopropylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170372985
methyl N-[2-[1-(3-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]carbamate
CID 166718104
methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate
CID 166765350
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide
CID 166767484
(2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one
CID 170371825
(2R)-1-[6-[(3-cyclopropyl-2-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170372365
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
propan-2-yl N-[(2R)-2-[6-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]butyl]carbamate
CID 166718539

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).