(5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen

C26H41N3O4 — CID 166107693

IUPAC(5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen
SMILESCCNC(=O)N1CCC[C@@]2(COC(=O)N2)[C@@H]1[C@H](CC)COC1CCC(c2ccccc2)CC1.[H][H]
InChIInChI=1S/C26H39N3O4.H2/c1-3-19(17-32-22-13-11-21(12-14-22)20-9-6-5-7-10-20)23-26(18-33-25(31)28-26)15-8-16-29(23)24(30)27-4-2;/h5-7,9-10,19,21-23H,3-4,8,11-18H2,1-2H3,(H,27,30)(H,28,31);1H/t19-,21?,22?,23+,26-;/m1./s1
InChIKeyZWLQLYWOOAXMSF-SHZVHOSBSA-N
MW459.63 g/mol
LogP4.67
Rot. Bonds7

About (5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen

(5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen (PubChem CID 166107693) has the molecular formula C26H41N3O4 and a molecular weight of 459.63 g/mol. Its IUPAC name is (5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen
PubChem CID166107693
Molecular FormulaC26H41N3O4
Molecular Weight459.63 g/mol
Exact Mass459.31
IUPAC Name(5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen
SMILESCCNC(=O)N1CCC[C@@]2(COC(=O)N2)[C@@H]1[C@H](CC)COC1CCC(c2ccccc2)CC1.[H][H]
InChIInChI=1S/C26H39N3O4.H2/c1-3-19(17-32-22-13-11-21(12-14-22)20-9-6-5-7-10-20)23-26(18-33-25(31)28-26)15-8-16-29(23)24(30)27-4-2;/h5-7,9-10,19,21-23H,3-4,8,11-18H2,1-2H3,(H,27,30)(H,28,31);1H/t19-,21?,22?,23+,26-;/m1./s1
InChIKeyZWLQLYWOOAXMSF-SHZVHOSBSA-N
XLogP4.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen?
The IUPAC name of (5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen (CID 166107693) is (5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen.
What is the SMILES notation for (5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen?
The canonical SMILES for (5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen is CCNC(=O)N1CCC[C@@]2(COC(=O)N2)[C@@H]1[C@H](CC)COC1CCC(c2ccccc2)CC1.[H][H].
What is the InChIKey of (5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen?
The InChIKey is ZWLQLYWOOAXMSF-SHZVHOSBSA-N. The full InChI is InChI=1S/C26H39N3O4.H2/c1-3-19(17-32-22-13-11-21(12-14-22)20-9-6-5-7-10-20)23-26(18-33-25(31)28-26)15-8-16-29(23)24(30)27-4-2;/h5-7,9-10,19,21-23H,3-4,8,11-18H2,1-2H3,(H,27,30)(H,28,31);1H/t19-,21?,22?,23+,26-;/m1./s1.
What are the key properties of (5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen?
(5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen has a molecular weight of 459.63 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-N-ethyl-2-oxo-10-[(2S)-1-(4-phenylcyclohexyl)oxybutan-2-yl]-3-oxa-1,9-diazaspiro[4.5]decane-9-carboxamide;molecular hydrogen is sourced from PubChem (CID 166107693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).