N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide

C26H32N2O3 — CID 12989212

IUPACN-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOC(c1ccc(NC(=O)C2CC2(C)C)cc1)c1ccc(NC(=O)C2CC2(C)C)cc1
InChIInChI=1S/C26H32N2O3/c1-25(2)14-20(25)23(29)27-18-10-6-16(7-11-18)22(31-5)17-8-12-19(13-9-17)28-24(30)21-15-26(21,3)4/h6-13,20-22H,14-15H2,1-5H3,(H,27,29)(H,28,30)
InChIKeyJYRYXUPVGWCQII-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.39
Rot. Bonds7

About N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 12989212) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID12989212
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOC(c1ccc(NC(=O)C2CC2(C)C)cc1)c1ccc(NC(=O)C2CC2(C)C)cc1
InChIInChI=1S/C26H32N2O3/c1-25(2)14-20(25)23(29)27-18-10-6-16(7-11-18)22(31-5)17-8-12-19(13-9-17)28-24(30)21-15-26(21,3)4/h6-13,20-22H,14-15H2,1-5H3,(H,27,29)(H,28,30)
InChIKeyJYRYXUPVGWCQII-UHFFFAOYSA-N
XLogP5.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide with MolForge

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Related Compounds

(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 20632813
N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 15487895
3-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541168
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 166390708
N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319304
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208664
2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70518829
(1S)-2,2-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 122159832
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002185
2,2-dimethyl-N-[4-[3-[4-(2-methylbutanoylamino)phenoxy]phenoxy]phenyl]cyclopropane-1-carboxamide
CID 142046560

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 12989212) is N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide is COC(c1ccc(NC(=O)C2CC2(C)C)cc1)c1ccc(NC(=O)C2CC2(C)C)cc1.
What is the InChIKey of N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is JYRYXUPVGWCQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-25(2)14-20(25)23(29)27-18-10-6-16(7-11-18)22(31-5)17-8-12-19(13-9-17)28-24(30)21-15-26(21,3)4/h6-13,20-22H,14-15H2,1-5H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 12989212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).