(4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

C23H35FN4O3 — CID 146065788

IUPAC(4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
SMILESCCN(CC)CCN(CC)C(=O)[C@H]1CN(Cc2ccc(F)cc2)C[C@@]12OCCNC2=O
InChIInChI=1S/C23H35FN4O3/c1-4-26(5-2)12-13-28(6-3)21(29)20-16-27(15-18-7-9-19(24)10-8-18)17-23(20)22(30)25-11-14-31-23/h7-10,20H,4-6,11-17H2,1-3H3,(H,25,30)/t20-,23-/m1/s1
InChIKeyGZSWTBICMOORMI-NFBKMPQASA-N
MW434.56 g/mol
LogP1.33
Rot. Bonds9

About (4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

(4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide (PubChem CID 146065788) has the molecular formula C23H35FN4O3 and a molecular weight of 434.56 g/mol. Its IUPAC name is (4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
PubChem CID146065788
Molecular FormulaC23H35FN4O3
Molecular Weight434.56 g/mol
Exact Mass434.27
IUPAC Name(4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
SMILESCCN(CC)CCN(CC)C(=O)[C@H]1CN(Cc2ccc(F)cc2)C[C@@]12OCCNC2=O
InChIInChI=1S/C23H35FN4O3/c1-4-26(5-2)12-13-28(6-3)21(29)20-16-27(15-18-7-9-19(24)10-8-18)17-23(20)22(30)25-11-14-31-23/h7-10,20H,4-6,11-17H2,1-3H3,(H,25,30)/t20-,23-/m1/s1
InChIKeyGZSWTBICMOORMI-NFBKMPQASA-N
XLogP1.33
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide with MolForge

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Related Compounds

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CID 138037914
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CID 7350577
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CID 7350581
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CID 7350583
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CID 8246872
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CID 8246873

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide (CID 146065788) is (4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide is CCN(CC)CCN(CC)C(=O)[C@H]1CN(Cc2ccc(F)cc2)C[C@@]12OCCNC2=O.
What is the InChIKey of (4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The InChIKey is GZSWTBICMOORMI-NFBKMPQASA-N. The full InChI is InChI=1S/C23H35FN4O3/c1-4-26(5-2)12-13-28(6-3)21(29)20-16-27(15-18-7-9-19(24)10-8-18)17-23(20)22(30)25-11-14-31-23/h7-10,20H,4-6,11-17H2,1-3H3,(H,25,30)/t20-,23-/m1/s1.
What are the key properties of (4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
(4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-N-[2-(diethylamino)ethyl]-N-ethyl-2-[(4-fluorophenyl)methyl]-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 146065788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).