N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide

C18H25N3O2 — CID 110130991

IUPACN-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H]2CN(C)C[C@]23CCCCC(=O)N3)c1
InChIInChI=1S/C18H25N3O2/c1-13(22)19-15-7-5-6-14(10-15)16-11-21(2)12-18(16)9-4-3-8-17(23)20-18/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3,(H,19,22)(H,20,23)/t16-,18+/m0/s1
InChIKeyUUIFEVZMSAFUBL-FUHWJXTLSA-N
MW315.42 g/mol
LogP2.10
Rot. Bonds2

About N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide

N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide (PubChem CID 110130991) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide
PubChem CID110130991
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H]2CN(C)C[C@]23CCCCC(=O)N3)c1
InChIInChI=1S/C18H25N3O2/c1-13(22)19-15-7-5-6-14(10-15)16-11-21(2)12-18(16)9-4-3-8-17(23)20-18/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3,(H,19,22)(H,20,23)/t16-,18+/m0/s1
InChIKeyUUIFEVZMSAFUBL-FUHWJXTLSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide (CID 110130991) is N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide is CC(=O)Nc1cccc([C@@H]2CN(C)C[C@]23CCCCC(=O)N3)c1.
What is the InChIKey of N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide?
The InChIKey is UUIFEVZMSAFUBL-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(22)19-15-7-5-6-14(10-15)16-11-21(2)12-18(16)9-4-3-8-17(23)20-18/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3,(H,19,22)(H,20,23)/t16-,18+/m0/s1.
What are the key properties of N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide?
N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,5S)-2-methyl-7-oxo-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide is sourced from PubChem (CID 110130991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).