(3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide

C25H37N3O4 — CID 166107524

IUPAC(3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCNC(=O)N1CCC[C@]2(CO[C@H](C)C(=O)N2)[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H37N3O4/c1-3-26-24(30)28-15-7-14-25(17-32-18(2)23(29)27-25)22(28)16-31-21-12-10-20(11-13-21)19-8-5-4-6-9-19/h4-6,8-9,18,20-22H,3,7,10-17H2,1-2H3,(H,26,30)(H,27,29)/t18-,20?,21?,22-,25+/m1/s1
InChIKeyFFEIGYLFGKKXRX-PREDXKLUSA-N
MW443.59 g/mol
LogP3.20
Rot. Bonds5

About (3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide

(3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 166107524) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is (3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound Name(3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID166107524
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC Name(3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCNC(=O)N1CCC[C@]2(CO[C@H](C)C(=O)N2)[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H37N3O4/c1-3-26-24(30)28-15-7-14-25(17-32-18(2)23(29)27-25)22(28)16-31-21-12-10-20(11-13-21)19-8-5-4-6-9-19/h4-6,8-9,18,20-22H,3,7,10-17H2,1-2H3,(H,26,30)(H,27,29)/t18-,20?,21?,22-,25+/m1/s1
InChIKeyFFEIGYLFGKKXRX-PREDXKLUSA-N
XLogP3.20
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of (3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide (CID 166107524) is (3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for (3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for (3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide is CCNC(=O)N1CCC[C@]2(CO[C@H](C)C(=O)N2)[C@H]1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of (3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is FFEIGYLFGKKXRX-PREDXKLUSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-3-26-24(30)28-15-7-14-25(17-32-18(2)23(29)27-25)22(28)16-31-21-12-10-20(11-13-21)19-8-5-4-6-9-19/h4-6,8-9,18,20-22H,3,7,10-17H2,1-2H3,(H,26,30)(H,27,29)/t18-,20?,21?,22-,25+/m1/s1.
What are the key properties of (3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide?
(3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 166107524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).