N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide

C21H24N2O3 — CID 112984204

IUPACN-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C21H24N2O3/c1-16-4-2-3-5-19(16)20(24)22-17-6-8-18(9-7-17)23-12-10-21(11-13-23)25-14-15-26-21/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyZWCZDJVQSCDEKU-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.59
Rot. Bonds3

About N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide

N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide (PubChem CID 112984204) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide
PubChem CID112984204
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C21H24N2O3/c1-16-4-2-3-5-19(16)20(24)22-17-6-8-18(9-7-17)23-12-10-21(11-13-23)25-14-15-26-21/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyZWCZDJVQSCDEKU-UHFFFAOYSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide
CID 112984216
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
CID 112984191
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 6497049
ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate
CID 86707334
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide
CID 112984226
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
methyl 2-[4-[4-[(2-methylbenzoyl)amino]phenyl]piperazin-1-yl]-2-phenylacetate
CID 16666631
N-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215686
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide (CID 112984204) is N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide?
The InChIKey is ZWCZDJVQSCDEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-4-2-3-5-19(16)20(24)22-17-6-8-18(9-7-17)23-12-10-21(11-13-23)25-14-15-26-21/h2-9H,10-15H2,1H3,(H,22,24).
What are the key properties of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide?
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide has a molecular weight of 352.43 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-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 112984204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).