[5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone

C16H21ClN2O3 — CID 99833423

IUPAC[5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCO[C@@]2(CCOC2)C1
InChIInChI=1S/C16H21ClN2O3/c1-2-18-14-4-3-12(17)9-13(14)15(20)19-6-8-22-16(10-19)5-7-21-11-16/h3-4,9,18H,2,5-8,10-11H2,1H3/t16-/m0/s1
InChIKeyTXMVXDSYSHHRLM-INIZCTEOSA-N
MW324.81 g/mol
LogP2.40
Rot. Bonds3

About [5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone

[5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 99833423) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID99833423
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name[5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCO[C@@]2(CCOC2)C1
InChIInChI=1S/C16H21ClN2O3/c1-2-18-14-4-3-12(17)9-13(14)15(20)19-6-8-22-16(10-19)5-7-21-11-16/h3-4,9,18H,2,5-8,10-11H2,1H3/t16-/m0/s1
InChIKeyTXMVXDSYSHHRLM-INIZCTEOSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone with MolForge

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Related Compounds

[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62169229
[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174798
[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106741494
(4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 90648268
[5-chloro-2-(ethylamino)phenyl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103529939
[5-chloro-2-(ethylamino)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103529941
(5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113222975
2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone
CID 138992709
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
4-(4-chlorophenyl)-1-(1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)-3,3-dimethylbutan-1-one
CID 126800733

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of [5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 99833423) is [5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for [5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone is CCNc1ccc(Cl)cc1C(=O)N1CCO[C@@]2(CCOC2)C1.
What is the InChIKey of [5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is TXMVXDSYSHHRLM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-2-18-14-4-3-12(17)9-13(14)15(20)19-6-8-22-16(10-19)5-7-21-11-16/h3-4,9,18H,2,5-8,10-11H2,1H3/t16-/m0/s1.
What are the key properties of [5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone?
[5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 324.81 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 99833423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).