N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide

C15H25N3O2 — CID 74231720

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide
SMILESCOCC1(C(=O)NC(Cn2ccnc2)C(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-14(2,3)12(9-18-8-7-16-11-18)17-13(19)15(5-6-15)10-20-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,19)
InChIKeyDGQOYFJRPOVIAM-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.84
Rot. Bonds6

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide (PubChem CID 74231720) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide
PubChem CID74231720
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide
SMILESCOCC1(C(=O)NC(Cn2ccnc2)C(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-14(2,3)12(9-18-8-7-16-11-18)17-13(19)15(5-6-15)10-20-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,19)
InChIKeyDGQOYFJRPOVIAM-UHFFFAOYSA-N
XLogP1.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide (CID 74231720) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide is COCC1(C(=O)NC(Cn2ccnc2)C(C)(C)C)CC1.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide?
The InChIKey is DGQOYFJRPOVIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-14(2,3)12(9-18-8-7-16-11-18)17-13(19)15(5-6-15)10-20-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-(methoxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 74231720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).