N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide

C21H28N4O2 — CID 166299172

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide
SMILESCc1ncn(-c2ccc(NC(=O)CC3COC4(CCNCC4)C3)cc2)c1C
InChIInChI=1S/C21H28N4O2/c1-15-16(2)25(14-23-15)19-5-3-18(4-6-19)24-20(26)11-17-12-21(27-13-17)7-9-22-10-8-21/h3-6,14,17,22H,7-13H2,1-2H3,(H,24,26)
InChIKeyDPVMOOLDFNRQPQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.98
Rot. Bonds4

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide (PubChem CID 166299172) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide
PubChem CID166299172
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide
SMILESCc1ncn(-c2ccc(NC(=O)CC3COC4(CCNCC4)C3)cc2)c1C
InChIInChI=1S/C21H28N4O2/c1-15-16(2)25(14-23-15)19-5-3-18(4-6-19)24-20(26)11-17-12-21(27-13-17)7-9-22-10-8-21/h3-6,14,17,22H,7-13H2,1-2H3,(H,24,26)
InChIKeyDPVMOOLDFNRQPQ-UHFFFAOYSA-N
XLogP2.98
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 167905834
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide
CID 167873075
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
CID 166215906
1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 167980158
1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide
CID 167848155

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide (CID 166299172) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide is Cc1ncn(-c2ccc(NC(=O)CC3COC4(CCNCC4)C3)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is DPVMOOLDFNRQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-16(2)25(14-23-15)19-5-3-18(4-6-19)24-20(26)11-17-12-21(27-13-17)7-9-22-10-8-21/h3-6,14,17,22H,7-13H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(1-oxa-8-azaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 166299172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).