1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide

C17H22N4O2 — CID 167848155

IUPAC1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide
SMILESCOC1CC(N)(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)C1
InChIInChI=1S/C17H22N4O2/c1-11-12(2)21(10-19-11)14-6-4-13(5-7-14)20-16(22)17(18)8-15(9-17)23-3/h4-7,10,15H,8-9,18H2,1-3H3,(H,20,22)
InChIKeyAIOWAMXXXUAPGV-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.93
Rot. Bonds4

About 1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide

1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide (PubChem CID 167848155) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide
PubChem CID167848155
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide
SMILESCOC1CC(N)(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)C1
InChIInChI=1S/C17H22N4O2/c1-11-12(2)21(10-19-11)14-6-4-13(5-7-14)20-16(22)17(18)8-15(9-17)23-3/h4-7,10,15H,8-9,18H2,1-3H3,(H,20,22)
InChIKeyAIOWAMXXXUAPGV-UHFFFAOYSA-N
XLogP1.93
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclobutane-1-carboxamide
CID 166299186
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide
CID 167873075
cis-(1S,2S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-fluoro-2-phenylcyclopropane-1-carboxamide
CID 166350083
1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 167980158
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide
CID 166215873
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrole-3a-carboxamide
CID 167809894
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide
CID 166215727
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 166215739

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide (CID 167848155) is 1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide is COC1CC(N)(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)C1.
What is the InChIKey of 1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide?
The InChIKey is AIOWAMXXXUAPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-12(2)21(10-19-11)14-6-4-13(5-7-14)20-16(22)17(18)8-15(9-17)23-3/h4-7,10,15H,8-9,18H2,1-3H3,(H,20,22).
What are the key properties of 1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide?
1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide is sourced from PubChem (CID 167848155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).