1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate

C20H29N2O3- — CID 59828845

IUPAC1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate
SMILESCC(C)(C)O/C([O-])=N/Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C20H30N2O3/c1-18(2,3)25-17(24)21-12-13-8-10-14(11-9-13)22-16(23)15-19(4,5)20(15,6)7/h8-11,15H,12H2,1-7H3,(H,21,24)(H,22,23)/p-1
InChIKeyZECMDFWXHVHCFO-UHFFFAOYSA-M
MW345.46 g/mol
LogP3.34
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate

1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate (PubChem CID 59828845) has the molecular formula C20H29N2O3- and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate
PubChem CID59828845
Molecular FormulaC20H29N2O3-
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate
SMILESCC(C)(C)O/C([O-])=N/Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C20H30N2O3/c1-18(2,3)25-17(24)21-12-13-8-10-14(11-9-13)22-16(23)15-19(4,5)20(15,6)7/h8-11,15H,12H2,1-7H3,(H,21,24)(H,22,23)/p-1
InChIKeyZECMDFWXHVHCFO-UHFFFAOYSA-M
XLogP3.34
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23916671
N-(4-hydroxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476911
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
methyl N-[4-[[[ethylamino-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methylidene]amino]methyl]phenyl]carbamate
CID 111885637
3-[methyl-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]amino]propanoic acid
CID 170914560
tert-butyl 4-[N'-[[4-(2-methylpropanoylamino)phenyl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111040483
tert-butyl N-[N'-[[4-(aminomethyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 20647377
tert-butyl N-[1-[[amino-(4-ethylanilino)methylidene]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111757740
tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
CID 107239571
tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate
CID 146853096
tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611
tert-butyl N-[(4-ethylphenyl)carbamothioylamino]carbamate
CID 7988138

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate (CID 59828845) is 1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate is CC(C)(C)O/C([O-])=N/Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate?
The InChIKey is ZECMDFWXHVHCFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H30N2O3/c1-18(2,3)25-17(24)21-12-13-8-10-14(11-9-13)22-16(23)15-19(4,5)20(15,6)7/h8-11,15H,12H2,1-7H3,(H,21,24)(H,22,23)/p-1.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate?
1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate has a molecular weight of 345.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-N-[[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]methanimidate is sourced from PubChem (CID 59828845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).