N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

C24H33F2N5O3 — CID 70308712

IUPACN-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O)C(=O)NC1(N)CC1
InChIInChI=1S/C24H33F2N5O3/c1-22(25,26)15-18(19(32)29-24(27)7-8-24)28-21(34)30-12-9-23(10-13-30)11-14-31(20(23)33)16-17-5-3-2-4-6-17/h2-6,18H,7-16,27H2,1H3,(H,28,34)(H,29,32)/t18-/m0/s1
InChIKeyLHJIXWLCOBLADU-SFHVURJKSA-N
MW477.56 g/mol
LogP2.19
Rot. Bonds7

About N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 70308712) has the molecular formula C24H33F2N5O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID70308712
Molecular FormulaC24H33F2N5O3
Molecular Weight477.56 g/mol
Exact Mass477.26
IUPAC NameN-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O)C(=O)NC1(N)CC1
InChIInChI=1S/C24H33F2N5O3/c1-22(25,26)15-18(19(32)29-24(27)7-8-24)28-21(34)30-12-9-23(10-13-30)11-14-31(20(23)33)16-17-5-3-2-4-6-17/h2-6,18H,7-16,27H2,1H3,(H,28,34)(H,29,32)/t18-/m0/s1
InChIKeyLHJIXWLCOBLADU-SFHVURJKSA-N
XLogP2.19
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 70308712) is N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide is CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O)C(=O)NC1(N)CC1.
What is the InChIKey of N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is LHJIXWLCOBLADU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H33F2N5O3/c1-22(25,26)15-18(19(32)29-24(27)7-8-24)28-21(34)30-12-9-23(10-13-30)11-14-31(20(23)33)16-17-5-3-2-4-6-17/h2-6,18H,7-16,27H2,1H3,(H,28,34)(H,29,32)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(1-aminocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-benzyl-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 70308712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).