(2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide

C21H31N3O3 — CID 97124481

IUPAC(2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)N1CCC2(CCC(=O)N(CCCO)C2)CC1
InChIInChI=1S/C21H31N3O3/c1-17(20(27)22-18-6-3-2-4-7-18)23-13-10-21(11-14-23)9-8-19(26)24(16-21)12-5-15-25/h2-4,6-7,17,25H,5,8-16H2,1H3,(H,22,27)/t17-/m1/s1
InChIKeyKURKPPHZZWURKK-QGZVFWFLSA-N
MW373.50 g/mol
LogP2.10
Rot. Bonds6

About (2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide

(2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide (PubChem CID 97124481) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide
PubChem CID97124481
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name(2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)N1CCC2(CCC(=O)N(CCCO)C2)CC1
InChIInChI=1S/C21H31N3O3/c1-17(20(27)22-18-6-3-2-4-7-18)23-13-10-21(11-14-23)9-8-19(26)24(16-21)12-5-15-25/h2-4,6-7,17,25H,5,8-16H2,1H3,(H,22,27)/t17-/m1/s1
InChIKeyKURKPPHZZWURKK-QGZVFWFLSA-N
XLogP2.10
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypropyl)-9-[(2R)-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97110647
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 80702099
2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854659
2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97119810
3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107324285
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
9-[(2,3-difluorophenyl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70781347
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72931172
9-(2-methylsulfanylpropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72877158
9-[1-(difluoromethyl)pyrazole-3-carbonyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72911142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide (CID 97124481) is (2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide is C[C@H](C(=O)Nc1ccccc1)N1CCC2(CCC(=O)N(CCCO)C2)CC1.
What is the InChIKey of (2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide?
The InChIKey is KURKPPHZZWURKK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-17(20(27)22-18-6-3-2-4-7-18)23-13-10-21(11-14-23)9-8-19(26)24(16-21)12-5-15-25/h2-4,6-7,17,25H,5,8-16H2,1H3,(H,22,27)/t17-/m1/s1.
What are the key properties of (2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide?
(2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide has a molecular weight of 373.50 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide is sourced from PubChem (CID 97124481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).