(5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

C19H24N2O3 — CID 99823283

IUPAC(5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@]2(CCOC2)C(=O)N1CC1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H24N2O3/c22-17-19(10-11-24-13-19)20-18(23)21(17)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2,(H,20,23)/t14?,16?,19-/m0/s1
InChIKeyWPUBKBUSPWVGJM-KJXMEXGPSA-N
MW328.41 g/mol
LogP2.67
Rot. Bonds3

About (5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

(5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 99823283) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID99823283
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@]2(CCOC2)C(=O)N1CC1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H24N2O3/c22-17-19(10-11-24-13-19)20-18(23)21(17)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2,(H,20,23)/t14?,16?,19-/m0/s1
InChIKeyWPUBKBUSPWVGJM-KJXMEXGPSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 99823283) is (5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1N[C@]2(CCOC2)C(=O)N1CC1CCC(c2ccccc2)CC1.
What is the InChIKey of (5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is WPUBKBUSPWVGJM-KJXMEXGPSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-17-19(10-11-24-13-19)20-18(23)21(17)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2,(H,20,23)/t14?,16?,19-/m0/s1.
What are the key properties of (5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 328.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 99823283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).