N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C22H33N3O3 — CID 56799710

IUPACN-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCN(c1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1)C1CCCCC1
InChIInChI=1S/C22H33N3O3/c1-24(19-5-3-2-4-6-19)20-9-7-18(8-10-20)17-23-21(26)25-13-11-22(12-14-25)27-15-16-28-22/h7-10,19H,2-6,11-17H2,1H3,(H,23,26)
InChIKeyDFPCQKPVXWAESC-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.50
Rot. Bonds4

About N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 56799710) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID56799710
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCN(c1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1)C1CCCCC1
InChIInChI=1S/C22H33N3O3/c1-24(19-5-3-2-4-6-19)20-9-7-18(8-10-20)17-23-21(26)25-13-11-22(12-14-25)27-15-16-28-22/h7-10,19H,2-6,11-17H2,1H3,(H,23,26)
InChIKeyDFPCQKPVXWAESC-UHFFFAOYSA-N
XLogP3.50
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

4-[(1,5-dioxa-9-azaspiro[5.5]undecane-9-carbonylamino)methyl]benzoic acid
CID 122020091
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 44901827
N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 71785150
N-[(2R)-2-[benzyl(methyl)amino]propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 95765261
N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3851823
2-[[1-[(4-cyclobutylphenyl)methylcarbamoyl]azepan-4-yl]-methylamino]acetic acid
CID 122011766
1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine
CID 110920438
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110299714
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688

Frequently Asked Questions

What is the IUPAC name of N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 56799710) is N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CN(c1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1)C1CCCCC1.
What is the InChIKey of N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is DFPCQKPVXWAESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-24(19-5-3-2-4-6-19)20-9-7-18(8-10-20)17-23-21(26)25-13-11-22(12-14-25)27-15-16-28-22/h7-10,19H,2-6,11-17H2,1H3,(H,23,26).
What are the key properties of N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 56799710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).