(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C19H26N2O3 — CID 97149815

IUPAC(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(C(=O)CO)CC2)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C19H26N2O3/c1-2-20-14-19(8-10-21(11-9-19)17(23)13-22)12-16(18(20)24)15-6-4-3-5-7-15/h3-7,16,22H,2,8-14H2,1H3/t16-/m0/s1
InChIKeyXILMMXUVFVLBBM-INIZCTEOSA-N
MW330.43 g/mol
LogP1.62
Rot. Bonds3

About (4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97149815) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97149815
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(C(=O)CO)CC2)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C19H26N2O3/c1-2-20-14-19(8-10-21(11-9-19)17(23)13-22)12-16(18(20)24)15-6-4-3-5-7-15/h3-7,16,22H,2,8-14H2,1H3/t16-/m0/s1
InChIKeyXILMMXUVFVLBBM-INIZCTEOSA-N
XLogP1.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide
CID 72865020
2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72887510
2-ethyl-9-(1-methylpyrazole-4-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72902995
3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide
CID 72863507
(4S)-9-cyclopropylsulfonyl-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97138482
N-cyclopropyl-2-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide
CID 72896129
(4S)-2-cyclopropyl-9-(2-ethoxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97207725
(4S)-2-cyclopropyl-9-(2-methylsulfanylacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97190134
(4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97144161
9-[2-(2-methoxyethoxy)acetyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72882076
(4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 97147860
(4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97154436

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97149815) is (4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(C(=O)CO)CC2)C[C@@H](c2ccccc2)C1=O.
What is the InChIKey of (4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XILMMXUVFVLBBM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-20-14-19(8-10-21(11-9-19)17(23)13-22)12-16(18(20)24)15-6-4-3-5-7-15/h3-7,16,22H,2,8-14H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 330.43 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97149815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).