(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C17H22ClNO4 — CID 110763029

IUPAC(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H22ClNO4/c1-11-10-13(21-3)14(12(2)15(11)18)16(20)19-6-4-17(5-7-19)22-8-9-23-17/h10H,4-9H2,1-3H3
InChIKeyBKWBHGDXJFBCHS-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.94
Rot. Bonds2

About (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 110763029) has the molecular formula C17H22ClNO4 and a molecular weight of 339.82 g/mol. Its IUPAC name is (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID110763029
Molecular FormulaC17H22ClNO4
Molecular Weight339.82 g/mol
Exact Mass339.12
IUPAC Name(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H22ClNO4/c1-11-10-13(21-3)14(12(2)15(11)18)16(20)19-6-4-17(5-7-19)22-8-9-23-17/h10H,4-9H2,1-3H3
InChIKeyBKWBHGDXJFBCHS-UHFFFAOYSA-N
XLogP2.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 110764959
1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 110763028
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one
CID 110699298
(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110396652
(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763055
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3,4,5-trimethoxyphenyl)methanone
CID 90510481
6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758540
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 110771686
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
N-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113180332
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 110763029) is (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is COc1cc(C)c(Cl)c(C)c1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is BKWBHGDXJFBCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO4/c1-11-10-13(21-3)14(12(2)15(11)18)16(20)19-6-4-17(5-7-19)22-8-9-23-17/h10H,4-9H2,1-3H3.
What are the key properties of (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 339.82 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 110763029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).