2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide

C30H37F2N3O3 — CID 59999177

IUPAC2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
SMILESO=C(CC1CC1)N[C@@H](CCN1CCC2(CC1)CC(=O)N(Cc1ccc(OC(F)F)cc1)C2)c1ccccc1
InChIInChI=1S/C30H37F2N3O3/c31-29(32)38-25-10-8-23(9-11-25)20-35-21-30(19-28(35)37)13-16-34(17-14-30)15-12-26(24-4-2-1-3-5-24)33-27(36)18-22-6-7-22/h1-5,8-11,22,26,29H,6-7,12-21H2,(H,33,36)/t26-/m0/s1
InChIKeyCUMAMVLLIDQSTR-SANMLTNESA-N
MW525.64 g/mol
LogP5.15
Rot. Bonds11

About 2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide

2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide (PubChem CID 59999177) has the molecular formula C30H37F2N3O3 and a molecular weight of 525.64 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
PubChem CID59999177
Molecular FormulaC30H37F2N3O3
Molecular Weight525.64 g/mol
Exact Mass525.28
IUPAC Name2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
SMILESO=C(CC1CC1)N[C@@H](CCN1CCC2(CC1)CC(=O)N(Cc1ccc(OC(F)F)cc1)C2)c1ccccc1
InChIInChI=1S/C30H37F2N3O3/c31-29(32)38-25-10-8-23(9-11-25)20-35-21-30(19-28(35)37)13-16-34(17-14-30)15-12-26(24-4-2-1-3-5-24)33-27(36)18-22-6-7-22/h1-5,8-11,22,26,29H,6-7,12-21H2,(H,33,36)/t26-/m0/s1
InChIKeyCUMAMVLLIDQSTR-SANMLTNESA-N
XLogP5.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.64
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide (CID 59999177) is 2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide is O=C(CC1CC1)N[C@@H](CCN1CCC2(CC1)CC(=O)N(Cc1ccc(OC(F)F)cc1)C2)c1ccccc1.
What is the InChIKey of 2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?
The InChIKey is CUMAMVLLIDQSTR-SANMLTNESA-N. The full InChI is InChI=1S/C30H37F2N3O3/c31-29(32)38-25-10-8-23(9-11-25)20-35-21-30(19-28(35)37)13-16-34(17-14-30)15-12-26(24-4-2-1-3-5-24)33-27(36)18-22-6-7-22/h1-5,8-11,22,26,29H,6-7,12-21H2,(H,33,36)/t26-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?
2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide has a molecular weight of 525.64 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S)-3-[2-[[4-(difluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide is sourced from PubChem (CID 59999177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).