2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H32N2O3 — CID 97149071

IUPAC2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](O)CN1CC2(CCC1=O)CCN(CCCOc1ccccc1)CC2
InChIInChI=1S/C21H32N2O3/c1-18(24)16-23-17-21(9-8-20(23)25)10-13-22(14-11-21)12-5-15-26-19-6-3-2-4-7-19/h2-4,6-7,18,24H,5,8-17H2,1H3/t18-/m1/s1
InChIKeyMCTNOXBNHPESEB-GOSISDBHSA-N
MW360.50 g/mol
LogP2.54
Rot. Bonds7

About 2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97149071) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97149071
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](O)CN1CC2(CCC1=O)CCN(CCCOc1ccccc1)CC2
InChIInChI=1S/C21H32N2O3/c1-18(24)16-23-17-21(9-8-20(23)25)10-13-22(14-11-21)12-5-15-26-19-6-3-2-4-7-19/h2-4,6-7,18,24H,5,8-17H2,1H3/t18-/m1/s1
InChIKeyMCTNOXBNHPESEB-GOSISDBHSA-N
XLogP2.54
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[(3-chloro-2-fluorophenyl)methyl]-2-[(2R)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97148997
9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70771163
2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70740041
2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70750468
2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733806
2-(2-hydroxypropyl)-9-(1H-imidazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70705038
(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896690
2-cyclopentyl-9-(2-phenoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70761556
2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717871
2-[3-oxo-9-(3-phenylbutyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70712410
2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926553
2-(2-hydroxypropyl)-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72848200

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97149071) is 2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is C[C@@H](O)CN1CC2(CCC1=O)CCN(CCCOc1ccccc1)CC2.
What is the InChIKey of 2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MCTNOXBNHPESEB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-18(24)16-23-17-21(9-8-20(23)25)10-13-22(14-11-21)12-5-15-26-19-6-3-2-4-7-19/h2-4,6-7,18,24H,5,8-17H2,1H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.50 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97149071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).