N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide

C18H24Cl2N2O3 — CID 136538281

IUPACN-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC2(CCOCC2)O1
InChIInChI=1S/C18H24Cl2N2O3/c1-12-10-22(11-18(25-12)5-7-24-8-6-18)13(2)17(23)21-14-3-4-15(19)16(20)9-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,21,23)
InChIKeyIRRMKXDFEBAGLQ-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.59
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide

N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide (PubChem CID 136538281) has the molecular formula C18H24Cl2N2O3 and a molecular weight of 387.31 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide
PubChem CID136538281
Molecular FormulaC18H24Cl2N2O3
Molecular Weight387.31 g/mol
Exact Mass386.12
IUPAC NameN-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC2(CCOCC2)O1
InChIInChI=1S/C18H24Cl2N2O3/c1-12-10-22(11-18(25-12)5-7-24-8-6-18)13(2)17(23)21-14-3-4-15(19)16(20)9-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,21,23)
InChIKeyIRRMKXDFEBAGLQ-UHFFFAOYSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
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N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
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(2R)-N-(3-chlorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]propanamide
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(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
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(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide
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(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide (CID 136538281) is N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide is CC1CN(C(C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC2(CCOCC2)O1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide?
The InChIKey is IRRMKXDFEBAGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O3/c1-12-10-22(11-18(25-12)5-7-24-8-6-18)13(2)17(23)21-14-3-4-15(19)16(20)9-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide?
N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide has a molecular weight of 387.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide is sourced from PubChem (CID 136538281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).