N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide

C18H25ClN2O2 — CID 136546428

IUPACN-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCCC3(CCOC3)C2)c(Cl)c1
InChIInChI=1S/C18H25ClN2O2/c1-13-4-5-16(15(19)10-13)20-17(22)14(2)21-8-3-6-18(11-21)7-9-23-12-18/h4-5,10,14H,3,6-9,11-12H2,1-2H3,(H,20,22)
InChIKeyDSVZGAPBQSMHGE-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.48
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide

N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide (PubChem CID 136546428) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide
PubChem CID136546428
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCCC3(CCOC3)C2)c(Cl)c1
InChIInChI=1S/C18H25ClN2O2/c1-13-4-5-16(15(19)10-13)20-17(22)14(2)21-8-3-6-18(11-21)7-9-23-12-18/h4-5,10,14H,3,6-9,11-12H2,1-2H3,(H,20,22)
InChIKeyDSVZGAPBQSMHGE-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
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(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
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2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,4,5-trichlorophenyl)propanamide
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(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide (CID 136546428) is N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide is Cc1ccc(NC(=O)C(C)N2CCCC3(CCOC3)C2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide?
The InChIKey is DSVZGAPBQSMHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13-4-5-16(15(19)10-13)20-17(22)14(2)21-8-3-6-18(11-21)7-9-23-12-18/h4-5,10,14H,3,6-9,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide?
N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide has a molecular weight of 336.86 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(2-oxa-9-azaspiro[4.5]decan-9-yl)propanamide is sourced from PubChem (CID 136546428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).