(1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide

C23H33N3O4 — CID 166107713

IUPAC(1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
SMILESCCNC(=O)N1CC[C@]2(COCC(=O)N2)[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H33N3O4/c1-2-24-22(28)26-13-12-23(16-29-15-21(27)25-23)20(26)14-30-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20H,2,8-16H2,1H3,(H,24,28)(H,25,27)/t18?,19?,20-,23+/m1/s1
InChIKeyHOVSRIPAUTUZEF-RRDHRZETSA-N
MW415.53 g/mol
LogP2.42
Rot. Bonds5

About (1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide

(1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 166107713) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is (1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
PubChem CID166107713
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name(1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
SMILESCCNC(=O)N1CC[C@]2(COCC(=O)N2)[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H33N3O4/c1-2-24-22(28)26-13-12-23(16-29-15-21(27)25-23)20(26)14-30-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20H,2,8-16H2,1H3,(H,24,28)(H,25,27)/t18?,19?,20-,23+/m1/s1
InChIKeyHOVSRIPAUTUZEF-RRDHRZETSA-N
XLogP2.42
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide (CID 166107713) is (1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide is CCNC(=O)N1CC[C@]2(COCC(=O)N2)[C@H]1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of (1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is HOVSRIPAUTUZEF-RRDHRZETSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-2-24-22(28)26-13-12-23(16-29-15-21(27)25-23)20(26)14-30-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20H,2,8-16H2,1H3,(H,24,28)(H,25,27)/t18?,19?,20-,23+/m1/s1.
What are the key properties of (1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide?
(1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 166107713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).