2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide

C18H25N3O2 — CID 97144452

IUPAC2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
SMILESCN1CC2(CCN(CC(N)=O)CC2)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C18H25N3O2/c1-20-13-18(7-9-21(10-8-18)12-16(19)22)11-15(17(20)23)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H2,19,22)/t15-/m0/s1
InChIKeyAGJATCZKRHKFOV-HNNXBMFYSA-N
MW315.42 g/mol
LogP1.20
Rot. Bonds3

About 2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide

2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide (PubChem CID 97144452) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
PubChem CID97144452
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
SMILESCN1CC2(CCN(CC(N)=O)CC2)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C18H25N3O2/c1-20-13-18(7-9-21(10-8-18)12-16(19)22)11-15(17(20)23)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H2,19,22)/t15-/m0/s1
InChIKeyAGJATCZKRHKFOV-HNNXBMFYSA-N
XLogP1.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 97443621
propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72939969
(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97139547
4-methyl-1-[(4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pentane-1,2-dione
CID 97127092
9-[2-(2-methoxyethoxy)acetyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72882076
(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97138060
(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97197653
(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97194947
(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97206608
2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide
CID 97116302
N-cyclopropyl-2-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide
CID 72896129
(4S)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97191794

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The IUPAC name of 2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide (CID 97144452) is 2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide.
What is the SMILES notation for 2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The canonical SMILES for 2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide is CN1CC2(CCN(CC(N)=O)CC2)C[C@@H](c2ccccc2)C1=O.
What is the InChIKey of 2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The InChIKey is AGJATCZKRHKFOV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20-13-18(7-9-21(10-8-18)12-16(19)22)11-15(17(20)23)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H2,19,22)/t15-/m0/s1.
What are the key properties of 2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide is sourced from PubChem (CID 97144452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).